2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide

C23H25N3O — CID 109175151

IUPAC2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C23H25N3O/c1-17(2)26(16-19-10-5-4-6-11-19)22-15-20(13-14-24-22)23(27)25-21-12-8-7-9-18(21)3/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyBJCCCKSXFVHPBL-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.06
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109175151) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
PubChem CID109175151
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C23H25N3O/c1-17(2)26(16-19-10-5-4-6-11-19)22-15-20(13-14-24-22)23(27)25-21-12-8-7-9-18(21)3/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyBJCCCKSXFVHPBL-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167699
2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109175172
3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056154
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109311637
methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109170353
[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109166421
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide (CID 109175151) is 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide is Cc1ccccc1NC(=O)c1ccnc(N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is BJCCCKSXFVHPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(2)26(16-19-10-5-4-6-11-19)22-15-20(13-14-24-22)23(27)25-21-12-8-7-9-18(21)3/h4-15,17H,16H2,1-3H3,(H,25,27).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).