N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide

C18H23N3O — CID 109181294

IUPACN-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1C
InChIInChI=1S/C18H23N3O/c1-12(2)10-19-16-7-8-17(20-11-16)18(22)21-15-6-5-13(3)14(4)9-15/h5-9,11-12,19H,10H2,1-4H3,(H,21,22)
InChIKeyUSMILFLZKGBMLQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.02
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide

N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109181294) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109181294
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1C
InChIInChI=1S/C18H23N3O/c1-12(2)10-19-16-7-8-17(20-11-16)18(22)21-15-6-5-13(3)14(4)9-15/h5-9,11-12,19H,10H2,1-4H3,(H,21,22)
InChIKeyUSMILFLZKGBMLQ-UHFFFAOYSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)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-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-(2,5-dimethoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181332
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (CID 109181294) is N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is USMILFLZKGBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)10-19-16-7-8-17(20-11-16)18(22)21-15-6-5-13(3)14(4)9-15/h5-9,11-12,19H,10H2,1-4H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109181294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).