4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide

C22H20ClN3O2 — CID 109221343

IUPAC4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)Nc3c(C)cc(C)cc3Cl)c2)c1
InChIInChI=1S/C22H20ClN3O2/c1-13-9-14(2)21(19(23)10-13)26-22(28)20-12-18(7-8-24-20)25-17-6-4-5-16(11-17)15(3)27/h4-12H,1-3H3,(H,24,25)(H,26,28)
InChIKeyOYNDDSYLTDZBCI-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.55
Rot. Bonds5

About 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide

4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109221343) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109221343
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)Nc3c(C)cc(C)cc3Cl)c2)c1
InChIInChI=1S/C22H20ClN3O2/c1-13-9-14(2)21(19(23)10-13)26-22(28)20-12-18(7-8-24-20)25-17-6-4-5-16(11-17)15(3)27/h4-12H,1-3H3,(H,24,25)(H,26,28)
InChIKeyOYNDDSYLTDZBCI-UHFFFAOYSA-N
XLogP5.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354
N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288
methyl 3-[[4-(3,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219979

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide (CID 109221343) is 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccnc(C(=O)Nc3c(C)cc(C)cc3Cl)c2)c1.
What is the InChIKey of 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is OYNDDSYLTDZBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-9-14(2)21(19(23)10-13)26-22(28)20-12-18(7-8-24-20)25-17-6-4-5-16(11-17)15(3)27/h4-12H,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).