N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide

C13H16N2O2 — CID 115150404

IUPACN-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(=O)CC1)c1ccccn1
InChIInChI=1S/C13H16N2O2/c1-15(12-4-2-3-9-14-12)13(17)10-5-7-11(16)8-6-10/h2-4,9-10H,5-8H2,1H3
InChIKeyHWMRHSBJHKAOJC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.80
Rot. Bonds2

About N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide

N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 115150404) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID115150404
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(=O)CC1)c1ccccn1
InChIInChI=1S/C13H16N2O2/c1-15(12-4-2-3-9-14-12)13(17)10-5-7-11(16)8-6-10/h2-4,9-10H,5-8H2,1H3
InChIKeyHWMRHSBJHKAOJC-UHFFFAOYSA-N
XLogP1.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 115150404) is N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide is CN(C(=O)C1CCC(=O)CC1)c1ccccn1.
What is the InChIKey of N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is HWMRHSBJHKAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(12-4-2-3-9-14-12)13(17)10-5-7-11(16)8-6-10/h2-4,9-10H,5-8H2,1H3.
What are the key properties of N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide?
N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 115150404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).