N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

C17H21N3O — CID 115498309

IUPACN-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cccc(NC(C)C)n2)c1
InChIInChI=1S/C17H21N3O/c1-12(2)18-16-10-6-9-15(19-16)17(21)20(4)14-8-5-7-13(3)11-14/h5-12H,1-4H3,(H,18,19)
InChIKeyKSWYQNURRWTXGD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 115498309) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID115498309
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cccc(NC(C)C)n2)c1
InChIInChI=1S/C17H21N3O/c1-12(2)18-16-10-6-9-15(19-16)17(21)20(4)14-8-5-7-13(3)11-14/h5-12H,1-4H3,(H,18,19)
InChIKeyKSWYQNURRWTXGD-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)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-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498285
N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498329
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498349
6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62249264
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 115498234
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522
2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 62175591

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (CID 115498309) is N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is Cc1cccc(N(C)C(=O)c2cccc(NC(C)C)n2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is KSWYQNURRWTXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)18-16-10-6-9-15(19-16)17(21)20(4)14-8-5-7-13(3)11-14/h5-12H,1-4H3,(H,18,19).
What are the key properties of N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 115498309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).