N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide

C15H19N3O — CID 61119929

IUPACN-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2(C#N)CCC(C)CC2)n1
InChIInChI=1S/C15H19N3O/c1-11-6-8-15(10-16,9-7-11)18-14(19)13-5-3-4-12(2)17-13/h3-5,11H,6-9H2,1-2H3,(H,18,19)
InChIKeyGGABLVQFRUNSIZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide

N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide (PubChem CID 61119929) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide
PubChem CID61119929
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2(C#N)CCC(C)CC2)n1
InChIInChI=1S/C15H19N3O/c1-11-6-8-15(10-16,9-7-11)18-14(19)13-5-3-4-12(2)17-13/h3-5,11H,6-9H2,1-2H3,(H,18,19)
InChIKeyGGABLVQFRUNSIZ-UHFFFAOYSA-N
XLogP2.59
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide (CID 61119929) is N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC2(C#N)CCC(C)CC2)n1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide?
The InChIKey is GGABLVQFRUNSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-8-15(10-16,9-7-11)18-14(19)13-5-3-4-12(2)17-13/h3-5,11H,6-9H2,1-2H3,(H,18,19).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide?
N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 61119929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).