methyl 6-methoxy-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxylate
Basic information
- CAS
870971-20-3- Standard SMILES
COC(=O)c1nc(OC)ccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12- InChIKey
UGJFWORNRHOZCL-UHFFFAOYSA-N- Molecular formula
- C22H19N5O4
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.1437041
Names & identifiers
- Preferred name
- methyl 6-methoxy-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxylate
- IUPAC
- methyl 6-methoxy-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
Names & synonyms
methyl 6-methoxy-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxylate870971-20-3SCHEMBL4254673UGJFWORNRHOZCL-UHFFFAOYSA-NDTXSID701111225DB-3266246-Methoxy-3-[(4-[1,2,3]triazol-1-ylmethyl-naphthalene-1-carbonyl)-amino]-pyridine-2-carboxylic acid methyl esterMethyl 6-methoxy-3-[[[4-[(1H-1,2,3-triazol-1-yl)methyl]naphth-1-yl]carbonyl]amino]pyridine-2-carboxylatemethyl 6-methoxy-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1 naphthoyl]amino}pyridine-2-carboxylate
Database identifiers
- CAS
870971-20-3- PubChem CID
- 57780749
- DTXSID
DTXSID701111225
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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