2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide

C13H12ClN3O2 — CID 55043717

IUPAC2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N)c2)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-19-11-3-2-9(7-10(11)14)17-13(18)8-4-5-16-12(15)6-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyCSOYFSWSTNATRH-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.58
Rot. Bonds3

About 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide

2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 55043717) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID55043717
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N)c2)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-19-11-3-2-9(7-10(11)14)17-13(18)8-4-5-16-12(15)6-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyCSOYFSWSTNATRH-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide (CID 55043717) is 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(N)c2)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is CSOYFSWSTNATRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-3-2-9(7-10(11)14)17-13(18)8-4-5-16-12(15)6-8/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide?
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 55043717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).