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

C23H25N3O — CID 109233210

IUPAC5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-17(2)21-11-7-8-12-22(21)25-23(27)19-13-20(15-24-14-19)26(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyAPBYLRLJXDQPIJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.09
Rot. Bonds6

About 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109233210) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109233210
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-17(2)21-11-7-8-12-22(21)25-23(27)19-13-20(15-24-14-19)26(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyAPBYLRLJXDQPIJ-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

5-(diethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109238915
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
N-(2-propan-2-ylphenyl)benzamide
CID 723391
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109233210) is 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1cncc(N(C)Cc2ccccc2)c1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is APBYLRLJXDQPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(2)21-11-7-8-12-22(21)25-23(27)19-13-20(15-24-14-19)26(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,25,27).
What are the key properties of 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
5-[benzyl(methyl)amino]-N-(2-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 5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).