N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide

C14H20N2O — CID 3907587

IUPACN-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccncc2)C1C
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-13(11(10)2)16-14(17)12-6-8-15-9-7-12/h6-11,13H,3-5H2,1-2H3,(H,16,17)
InChIKeySHKLDZKVVIWFGH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide

N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide (PubChem CID 3907587) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
PubChem CID3907587
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccncc2)C1C
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-13(11(10)2)16-14(17)12-6-8-15-9-7-12/h6-11,13H,3-5H2,1-2H3,(H,16,17)
InChIKeySHKLDZKVVIWFGH-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide (CID 3907587) is N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide is CC1CCCC(NC(=O)c2ccncc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is SHKLDZKVVIWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-3-5-13(11(10)2)16-14(17)12-6-8-15-9-7-12/h6-11,13H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 3907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).