N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide

C15H13N3O — CID 78950821

IUPACN-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H13N3O/c1-11-14(3-2-10-17-11)15(19)18-13-6-4-12(5-7-13)8-9-16/h2-7,10H,8H2,1H3,(H,18,19)
InChIKeyOBIMVWPCIWUCOL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.71
Rot. Bonds3

About N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide

N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 78950821) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
PubChem CID78950821
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H13N3O/c1-11-14(3-2-10-17-11)15(19)18-13-6-4-12(5-7-13)8-9-16/h2-7,10H,8H2,1H3,(H,18,19)
InChIKeyOBIMVWPCIWUCOL-UHFFFAOYSA-N
XLogP2.71
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(cyanomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616249
2-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 78950943
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-[4-(cyanomethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026221
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
CID 62662482
N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62515692
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105063448
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide (CID 78950821) is N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is OBIMVWPCIWUCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-14(3-2-10-17-11)15(19)18-13-6-4-12(5-7-13)8-9-16/h2-7,10H,8H2,1H3,(H,18,19).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide?
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 78950821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).