Basic information
- CAS
6843-37-4- Standard SMILES
CNC(=O)c1ccncc1- InChIKey
PLWAKFARFCNHJO-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Names & identifiers
- Preferred name
- 1-Methylisonicotinamide
- IUPAC
- N-methylpyridine-4-carboxamide
- English name
- 4-Pyridinecarboxamide,N-methyl-(9CI)
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
N-Methylisonicotinamide6843-37-44-Pyridinecarboxamide, N-methyl-1-MethylisonicotinamideQEV857ZE95NSC-87279DTXSID70218554RefChem:76399DTXCID20141045N-methylpyridine-4-carboxamideN-Methyl-4-pyridinecarboxamide4-Pyridinecarboxamide,N-methyl-(9CI)
Show more names
N-Methyl-4-picolylamineNicotinamide Impurity 1224-N-Methylcarbamoylpyridine
Regorafenib Impurity 68NSC 87279N-methyl-4-picolinamiden-methyl-isonicotin-amideN-Methylisonicotinamide #UNII-QEV857ZE95SCHEMBL112540SCHEMBL1499143
Database identifiers
- CAS
6843-37-4- PubChem CID
- 96707
- DTXSID
DTXSID70218554- UNII
- QEV857ZE95
- Nikkaji
- J600.114I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 115 °C · 115 °C(Solv: benzene (71-43-2))
- Boiling point
- 347.7 · 347.7±15.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 13.65 · 13.65±0.46(Predicted)
- FDA UNII
- 857 ZE95 · QEV857ZE95
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Methylisonicotinamide is a methyl derivative of Isonicotinamide (I821700); a compound that strongly induced apoptosis in human acute myelomonocytic leukemia cells, HL-60. N-Methylisonicotinamide is also used as a reagent in the synthesis of the alkaloid eupolauramine.
Suppliers13 total
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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