N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C21H18N4O — CID 109232741

IUPACN-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)Nc3ccccc3C#N)c2)cc1
InChIInChI=1S/C21H18N4O/c1-15-6-8-16(9-7-15)12-24-19-10-18(13-23-14-19)21(26)25-20-5-3-2-4-17(20)11-22/h2-10,13-14,24H,12H2,1H3,(H,25,26)
InChIKeyJVZJNSVNVCBDQA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.13
Rot. Bonds5

About N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232741) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232741
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)Nc3ccccc3C#N)c2)cc1
InChIInChI=1S/C21H18N4O/c1-15-6-8-16(9-7-15)12-24-19-10-18(13-23-14-19)21(26)25-20-5-3-2-4-17(20)11-22/h2-10,13-14,24H,12H2,1H3,(H,25,26)
InChIKeyJVZJNSVNVCBDQA-UHFFFAOYSA-N
XLogP4.13
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109233966
N-(2-cyanophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231622
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232734
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232741) is N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2cncc(C(=O)Nc3ccccc3C#N)c2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is JVZJNSVNVCBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-6-8-16(9-7-15)12-24-19-10-18(13-23-14-19)21(26)25-20-5-3-2-4-17(20)11-22/h2-10,13-14,24H,12H2,1H3,(H,25,26).
What are the key properties of N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).