N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide

C20H15ClN4O2 — CID 109177830

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccnc(Nc2ccccc2C#N)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-18-7-6-15(21)11-17(18)25-20(26)13-8-9-23-19(10-13)24-16-5-3-2-4-14(16)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyROWWHLUFAVBMEA-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.61
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109177830) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
PubChem CID109177830
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccnc(Nc2ccccc2C#N)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-18-7-6-15(21)11-17(18)25-20(26)13-8-9-23-19(10-13)24-16-5-3-2-4-14(16)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyROWWHLUFAVBMEA-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

2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
2-(2-cyanoanilino)-N-(3,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178950
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178127
2-(2-chloroanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177396
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
2-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177274

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide (CID 109177830) is N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccnc(Nc2ccccc2C#N)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is ROWWHLUFAVBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-18-7-6-15(21)11-17(18)25-20(26)13-8-9-23-19(10-13)24-16-5-3-2-4-14(16)12-22/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)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 N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).