4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

C21H20ClN3O2 — CID 109209990

IUPAC4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccnc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-5-3-4-6-15(14)13-24-21(26)19-12-17(9-10-23-19)25-18-11-16(22)7-8-20(18)27-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCFMGNQUBHMOCRP-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

About 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109209990) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109209990
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccnc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-5-3-4-6-15(14)13-24-21(26)19-12-17(9-10-23-19)25-18-11-16(22)7-8-20(18)27-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCFMGNQUBHMOCRP-UHFFFAOYSA-N
XLogP4.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]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

N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109211667
4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209976
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998
4-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
N-(4-chloro-2-methylphenyl)-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109221193
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
N-(3-acetylphenyl)-4-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109221420

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109209990) is 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is COc1ccc(Cl)cc1Nc1ccnc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is CFMGNQUBHMOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-5-3-4-6-15(14)13-24-21(26)19-12-17(9-10-23-19)25-18-11-16(22)7-8-20(18)27-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109209990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).