4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide

C21H20ClN3O3 — CID 109221271

IUPAC4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(C)c(Cl)c3)ccn2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-5-14(10-17(13)22)24-15-8-9-23-19(11-15)21(26)25-18-7-6-16(27-2)12-20(18)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyIBPOJTYMWGGROW-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.06
Rot. Bonds6

About 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide

4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109221271) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109221271
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(C)c(Cl)c3)ccn2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-5-14(10-17(13)22)24-15-8-9-23-19(11-15)21(26)25-18-7-6-16(27-2)12-20(18)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyIBPOJTYMWGGROW-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

4-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109220991
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
4-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109220598
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide (CID 109221271) is 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccc(C)c(Cl)c3)ccn2)c(OC)c1.
What is the InChIKey of 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is IBPOJTYMWGGROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-4-5-14(10-17(13)22)24-15-8-9-23-19(11-15)21(26)25-18-7-6-16(27-2)12-20(18)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-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 4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).