2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide

C20H15ClN4O2 — CID 109177812

IUPAC2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ccn2)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-18-6-5-16(11-17(18)21)24-19-10-14(7-8-23-19)20(26)25-15-4-2-3-13(9-15)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyJFGNERZQXGFOGO-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide

2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (PubChem CID 109177812) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
PubChem CID109177812
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ccn2)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-18-6-5-16(11-17(18)21)24-19-10-14(7-8-23-19)20(26)25-15-4-2-3-13(9-15)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyJFGNERZQXGFOGO-UHFFFAOYSA-N
XLogP4.61
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109199613
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (CID 109177812) is 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is JFGNERZQXGFOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-18-6-5-16(11-17(18)21)24-19-10-14(7-8-23-19)20(26)25-15-4-2-3-13(9-15)12-22/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).