6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C23H25N3O — CID 109156294

IUPAC6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C23H25N3O/c1-17(2)19-9-12-21(13-10-19)25-23(27)20-11-14-22(24-15-20)26(3)16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyHNJLKRAWNBFOOR-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.09
Rot. Bonds6

About 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109156294) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109156294
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C23H25N3O/c1-17(2)19-9-12-21(13-10-19)25-23(27)20-11-14-22(24-15-20)26(3)16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyHNJLKRAWNBFOOR-UHFFFAOYSA-N
XLogP5.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 109156302
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328260
6-N-benzyl-6-N-methyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097697
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011952
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109156294) is 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)nc2)cc1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is HNJLKRAWNBFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(2)19-9-12-21(13-10-19)25-23(27)20-11-14-22(24-15-20)26(3)16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,27).
What are the key properties of 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109156294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).