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

C23H22N4O — CID 109195491

IUPAC5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C23H22N4O/c1-17(2)27(16-18-7-4-3-5-8-18)21-11-12-22(25-15-21)23(28)26-20-10-6-9-19(13-20)14-24/h3-13,15,17H,16H2,1-2H3,(H,26,28)
InChIKeyLYYJPJFHDGNLEM-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.62
Rot. Bonds6

About 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109195491) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109195491
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C23H22N4O/c1-17(2)27(16-18-7-4-3-5-8-18)21-11-12-22(25-15-21)23(28)26-20-10-6-9-19(13-20)14-24/h3-13,15,17H,16H2,1-2H3,(H,26,28)
InChIKeyLYYJPJFHDGNLEM-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-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109175172
N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109195480
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109195491) is 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide is CC(C)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(C#N)c2)nc1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is LYYJPJFHDGNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17(2)27(16-18-7-4-3-5-8-18)21-11-12-22(25-15-21)23(28)26-20-10-6-9-19(13-20)14-24/h3-13,15,17H,16H2,1-2H3,(H,26,28).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-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 5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).