2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide

C21H20ClN3O3 — CID 109176191

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)Nc3ccccc3C)ccn2)c(OC)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-16(13)25-21(26)14-8-9-23-20(10-14)24-17-12-18(27-2)15(22)11-19(17)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyNMIKFAVOSJGVCO-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.06
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109176191) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
PubChem CID109176191
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)Nc3ccccc3C)ccn2)c(OC)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-16(13)25-21(26)14-8-9-23-20(10-14)24-17-12-18(27-2)15(22)11-19(17)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyNMIKFAVOSJGVCO-UHFFFAOYSA-N
XLogP5.06
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177274
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
2-(2-chloroanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177396
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109165879
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166204

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide (CID 109176191) is 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide is COc1cc(Nc2cc(C(=O)Nc3ccccc3C)ccn2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is NMIKFAVOSJGVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-16(13)25-21(26)14-8-9-23-20(10-14)24-17-12-18(27-2)15(22)11-19(17)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).