N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide

C15H13N3O — CID 78951088

IUPACN-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-11-14(3-2-8-17-11)15(19)18-10-13-6-4-12(9-16)5-7-13/h2-8H,10H2,1H3,(H,18,19)
InChIKeyBBCPFBKKYMTGOX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.19
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide (PubChem CID 78951088) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
PubChem CID78951088
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-11-14(3-2-8-17-11)15(19)18-10-13-6-4-12(9-16)5-7-13/h2-8H,10H2,1H3,(H,18,19)
InChIKeyBBCPFBKKYMTGOX-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 138574473
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821
3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069753
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide (CID 78951088) is N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is BBCPFBKKYMTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-14(3-2-8-17-11)15(19)18-10-13-6-4-12(9-16)5-7-13/h2-8H,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 78951088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).