4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide

C15H13N3O — CID 66612711

IUPAC4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C15H13N3O/c1-17-15(19)14-9-13(6-7-18-14)8-11-2-4-12(10-16)5-3-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyNONOBKDAZYBPFJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.90
Rot. Bonds3

About 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide

4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 66612711) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID66612711
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C15H13N3O/c1-17-15(19)14-9-13(6-7-18-14)8-11-2-4-12(10-16)5-3-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyNONOBKDAZYBPFJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-4-pyridinyl)methyl]benzonitrile
CID 156871097
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
CID 142264154
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 115116842
4-[[4-[[4-chloro-3-(2-fluoropropan-2-yl)phenyl]carbamothioylamino]phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 123942002
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
tert-butyl 2-[(4-cyanophenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylate
CID 131997113
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
4-cyano-N-(4-methylpentyl)pyridine-2-carboxamide
CID 115116900
4-[(6-chloro-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-methylpyridine-2-carboxamide
CID 87513274
N,4-dimethylpyridine-2-carboxamide;1-methyl-4-propylbenzene
CID 144587299
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 66612711) is 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Cc2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is NONOBKDAZYBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-17-15(19)14-9-13(6-7-18-14)8-11-2-4-12(10-16)5-3-11/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide?
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66612711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).