Basic information
- CAS
73041-73-3- Standard SMILES
O=C(NCCCCCCNC(=O)c1cccnc1)c1cccnc1- InChIKey
POGUADMCUNEEPR-UHFFFAOYSA-N- Molecular formula
- C18H22N4O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.17427596
Overview
male infertility agent with antineoplastic activity; structure in first source
Names & identifiers
- Preferred name
- N,N'-hexamethylenebis(3-pyridinecarboxamide)
- IUPAC
- N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide
- English name
- N,N'-hexamethylenebis(3-pyridinecarboxamide)
- Molecular formula
- C18H22N4O2
- Molecular weight
- 326.39
Names & synonyms
73041-73-3N,N'-Hexamethylenebis(3-pyridinecarboxamide)N,N'-C6bis(Niacinamide)DTXSID60223319RefChem:161033DTXCID10145810N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide3-Pyridinecarboxamide,N,N'-1,6-hexanediylbis-N,N'-(Hexane-1,6-diyl)di(pyridine-3-carboxamide)n-{6-[(3-pyridinylcarbonyl)amino]hexyl}nicotinamideN,N'-1,6-Hexanediylbis-3-pyridinecarboxamideSCHEMBL5483064
Show more names
N,N'-bis(3-pyridinecarboxamide)-1,6-hexane
STK321230AKOS001697121N,N'-(Hexane-1,6-diyl)dinicotinamideNCGC00674555-01N,N'-hexane-1,6-diyldipyridine-3-carboxamide3-Pyridinecarboxamide, N,N'-1,6-hexanediylbis-AN-652/15217014SR-01000112840
Database identifiers
- CAS
73041-73-3- PubChem CID
- 126325
- DTXSID
DTXSID60223319
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 169 · 169-172 °C
- Boiling point
- 655.4 · 655.4±40.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 13.56 · 13.56±0.46(Predicted)
Chemistry & industry
Suppliers4 total
吉林中科研伸科技有限公司18143011203 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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