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

C20H15ClN4O2 — CID 109221390

IUPAC4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-19-6-5-15(10-17(19)21)24-16-7-8-23-18(11-16)20(26)25-14-4-2-3-13(9-14)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyWEIBPQIRDMZORO-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.61
Rot. Bonds5

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

4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109221390) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109221390
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-19-6-5-15(10-17(19)21)24-16-7-8-23-18(11-16)20(26)25-14-4-2-3-13(9-14)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyWEIBPQIRDMZORO-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

5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109199613
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222674
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109221390) is 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is WEIBPQIRDMZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-19-6-5-15(10-17(19)21)24-16-7-8-23-18(11-16)20(26)25-14-4-2-3-13(9-14)12-22/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
4-(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 4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).