2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide

C23H22N4O — CID 109175172

IUPAC2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C23H22N4O/c1-17(2)27(16-18-7-4-3-5-8-18)22-14-20(11-12-25-22)23(28)26-21-10-6-9-19(13-21)15-24/h3-14,17H,16H2,1-2H3,(H,26,28)
InChIKeyVQTKATZMBRNXES-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.62
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide (PubChem CID 109175172) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
PubChem CID109175172
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C23H22N4O/c1-17(2)27(16-18-7-4-3-5-8-18)22-14-20(11-12-25-22)23(28)26-21-10-6-9-19(13-21)15-24/h3-14,17H,16H2,1-2H3,(H,26,28)
InChIKeyVQTKATZMBRNXES-UHFFFAOYSA-N
XLogP4.62
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167699
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311663
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide (CID 109175172) is 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide is CC(C)N(Cc1ccccc1)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is VQTKATZMBRNXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17(2)27(16-18-7-4-3-5-8-18)22-14-20(11-12-25-22)23(28)26-21-10-6-9-19(13-21)15-24/h3-14,17H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).