N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide

C21H20ClN3O2 — CID 109244973

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cncc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-13-8-14(2)20(17(22)9-13)25-21(26)15-10-16(12-23-11-15)24-18-6-4-5-7-19(18)27-3/h4-12,24H,1-3H3,(H,25,26)
InChIKeyADWWKBWXGBDAOL-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.36
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109244973) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
PubChem CID109244973
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cncc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-13-8-14(2)20(17(22)9-13)25-21(26)15-10-16(12-23-11-15)24-18-6-4-5-7-19(18)27-3/h4-12,24H,1-3H3,(H,25,26)
InChIKeyADWWKBWXGBDAOL-UHFFFAOYSA-N
XLogP5.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-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-methoxyphenyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109243927
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337379
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109244383
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243138
N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109243288
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide (CID 109244973) is N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide is COc1ccccc1Nc1cncc(C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is ADWWKBWXGBDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13-8-14(2)20(17(22)9-13)25-21(26)15-10-16(12-23-11-15)24-18-6-4-5-7-19(18)27-3/h4-12,24H,1-3H3,(H,25,26).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).