N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

C17H21N3O — CID 115498285

IUPACN-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc(NC(C)C)n2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)18-16-7-5-6-15(19-16)17(21)20(4)14-10-8-13(3)9-11-14/h5-12H,1-4H3,(H,18,19)
InChIKeyLWLNUSQUZXKYOG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 115498285) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID115498285
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc(NC(C)C)n2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)18-16-7-5-6-15(19-16)17(21)20(4)14-10-8-13(3)9-11-14/h5-12H,1-4H3,(H,18,19)
InChIKeyLWLNUSQUZXKYOG-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

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Related Compounds

N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498309
6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62249264
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
N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3742330
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 115498234
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248939
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (CID 115498285) is N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is Cc1ccc(N(C)C(=O)c2cccc(NC(C)C)n2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is LWLNUSQUZXKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)18-16-7-5-6-15(19-16)17(21)20(4)14-10-8-13(3)9-11-14/h5-12H,1-4H3,(H,18,19).
What are the key properties of N-methyl-N-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
N-methyl-N-(4-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-(4-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 115498285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).