N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide

C14H12N4O — CID 62830947

IUPACN-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C14H12N4O/c1-9-3-5-12(10(2)17-9)14(19)18-13-6-4-11(7-15)8-16-13/h3-6,8H,1-2H3,(H,16,18,19)
InChIKeyNKUHBRSPIPJWFE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.22
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide

N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830947) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830947
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C14H12N4O/c1-9-3-5-12(10(2)17-9)14(19)18-13-6-4-11(7-15)8-16-13/h3-6,8H,1-2H3,(H,16,18,19)
InChIKeyNKUHBRSPIPJWFE-UHFFFAOYSA-N
XLogP2.22
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569
N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79502806
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide (CID 62830947) is N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(C#N)cn2)c(C)n1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is NKUHBRSPIPJWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-3-5-12(10(2)17-9)14(19)18-13-6-4-11(7-15)8-16-13/h3-6,8H,1-2H3,(H,16,18,19).
What are the key properties of N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).