5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

C20H15ClN4O2 — CID 109199613

IUPAC5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nc2)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-19-8-6-15(10-17(19)21)24-16-5-7-18(23-12-16)20(26)25-14-4-2-3-13(9-14)11-22/h2-10,12,24H,1H3,(H,25,26)
InChIKeyZIPGQYPHVNVSIJ-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.61
Rot. Bonds5

About 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109199613) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109199613
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nc2)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-19-8-6-15(10-17(19)21)24-16-5-7-18(23-12-16)20(26)25-14-4-2-3-13(9-14)11-22/h2-10,12,24H,1H3,(H,25,26)
InChIKeyZIPGQYPHVNVSIJ-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)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199580
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109199613) is 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nc2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is ZIPGQYPHVNVSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-19-8-6-15(10-17(19)21)24-16-5-7-18(23-12-16)20(26)25-14-4-2-3-13(9-14)11-22/h2-10,12,24H,1H3,(H,25,26).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-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 5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).