6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide

C13H17N3O — CID 176965224

IUPAC6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(C)c1ccc(C(=O)NC)nc1C#N
InChIInChI=1S/C13H17N3O/c1-5-13(2,3)9-6-7-10(12(17)15-4)16-11(9)8-14/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyKILHSUAOLMVABO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds3

About 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide

6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 176965224) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID176965224
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(C)c1ccc(C(=O)NC)nc1C#N
InChIInChI=1S/C13H17N3O/c1-5-13(2,3)9-6-7-10(12(17)15-4)16-11(9)8-14/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyKILHSUAOLMVABO-UHFFFAOYSA-N
XLogP2.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyano-N,5-dimethylpyridine-2-carboxamide
CID 170981219
5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide
CID 176964992
3-hydroxy-4-(2-methylbutan-2-yl)benzonitrile
CID 154951803
6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 166021778
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
5-ethyl-N,6-dimethylpyridine-2-carboxamide
CID 166088986
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065
8-tert-butyl-N-methylquinoline-2-carboxamide
CID 155427304
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide (CID 176965224) is 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide is CCC(C)(C)c1ccc(C(=O)NC)nc1C#N.
What is the InChIKey of 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is KILHSUAOLMVABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-13(2,3)9-6-7-10(12(17)15-4)16-11(9)8-14/h6-7H,5H2,1-4H3,(H,15,17).
What are the key properties of 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide?
6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-methyl-5-(2-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176965224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).