N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide

C16H21N3O — CID 62830256

IUPACN-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C#N)CCC(C)CC2)c(C)n1
InChIInChI=1S/C16H21N3O/c1-11-6-8-16(10-17,9-7-11)19-15(20)14-5-4-12(2)18-13(14)3/h4-5,11H,6-9H2,1-3H3,(H,19,20)
InChIKeyXTPPBWBUSGRZPP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide

N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830256) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830256
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C#N)CCC(C)CC2)c(C)n1
InChIInChI=1S/C16H21N3O/c1-11-6-8-16(10-17,9-7-11)19-15(20)14-5-4-12(2)18-13(14)3/h4-5,11H,6-9H2,1-3H3,(H,19,20)
InChIKeyXTPPBWBUSGRZPP-UHFFFAOYSA-N
XLogP2.90
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
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)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide (CID 62830256) is N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(C#N)CCC(C)CC2)c(C)n1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is XTPPBWBUSGRZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-8-16(10-17,9-7-11)19-15(20)14-5-4-12(2)18-13(14)3/h4-5,11H,6-9H2,1-3H3,(H,19,20).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide?
N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.90, 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)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).