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

C20H15ClN4O2 — CID 109177849

IUPAC2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C20H15ClN4O2/c1-27-18-6-5-15(21)11-17(18)25-19-10-14(7-8-23-19)20(26)24-16-4-2-3-13(9-16)12-22/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyUCULBQXNKIMTQS-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.61
Rot. Bonds5

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

2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (PubChem CID 109177849) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
PubChem CID109177849
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C20H15ClN4O2/c1-27-18-6-5-15(21)11-17(18)25-19-10-14(7-8-23-19)20(26)24-16-4-2-3-13(9-16)12-22/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyUCULBQXNKIMTQS-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-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109177830
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
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-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
CID 108991974
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (CID 109177849) is 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is COc1ccc(Cl)cc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ccn1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is UCULBQXNKIMTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-18-6-5-15(21)11-17(18)25-19-10-14(7-8-23-19)20(26)24-16-4-2-3-13(9-16)12-22/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
2-(5-chloro-2-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-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).