N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide

C15H13N3O — CID 47300067

IUPACN-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C15H13N3O/c1-10-6-7-14(11(2)17-10)15(19)18-13-5-3-4-12(8-13)9-16/h3-8H,1-2H3,(H,18,19)
InChIKeyXOGWXVXWXMGASH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.82
Rot. Bonds2

About N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 47300067) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID47300067
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C15H13N3O/c1-10-6-7-14(11(2)17-10)15(19)18-13-5-3-4-12(8-13)9-16/h3-8H,1-2H3,(H,18,19)
InChIKeyXOGWXVXWXMGASH-UHFFFAOYSA-N
XLogP2.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265
N-(3-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235774
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide (CID 47300067) is N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(C#N)c2)c(C)n1.
What is the InChIKey of N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is XOGWXVXWXMGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-7-14(11(2)17-10)15(19)18-13-5-3-4-12(8-13)9-16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 47300067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).