5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide

C18H25N3O — CID 112830991

IUPAC5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC(C)CCC2C(C)C)ccc1C#N
InChIInChI=1S/C18H25N3O/c1-11(2)15-7-5-12(3)9-17(15)21-18(22)16-8-6-14(10-19)13(4)20-16/h6,8,11-12,15,17H,5,7,9H2,1-4H3,(H,21,22)
InChIKeyORZZEIBZGWETHZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.45
Rot. Bonds3

About 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide

5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide (PubChem CID 112830991) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide
PubChem CID112830991
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC(C)CCC2C(C)C)ccc1C#N
InChIInChI=1S/C18H25N3O/c1-11(2)15-7-5-12(3)9-17(15)21-18(22)16-8-6-14(10-19)13(4)20-16/h6,8,11-12,15,17H,5,7,9H2,1-4H3,(H,21,22)
InChIKeyORZZEIBZGWETHZ-UHFFFAOYSA-N
XLogP3.45
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
2-(2-aminoethyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625820
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
4-(cyclopropylsulfamoyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 55662861
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide (CID 112830991) is 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide is Cc1nc(C(=O)NC2CC(C)CCC2C(C)C)ccc1C#N.
What is the InChIKey of 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is ORZZEIBZGWETHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-11(2)15-7-5-12(3)9-17(15)21-18(22)16-8-6-14(10-19)13(4)20-16/h6,8,11-12,15,17H,5,7,9H2,1-4H3,(H,21,22).
What are the key properties of 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide?
5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 112830991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).