N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide

C12H16N2O2 — CID 86589181

IUPACN-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-11-7-6-10(8-13-11)14-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,15)(H,14,16)
InChIKeyZGALUBYNNJUVNM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.89
Rot. Bonds2

About N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide

N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide (PubChem CID 86589181) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide
PubChem CID86589181
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-11-7-6-10(8-13-11)14-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,15)(H,14,16)
InChIKeyZGALUBYNNJUVNM-UHFFFAOYSA-N
XLogP1.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide (CID 86589181) is N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide is O=C(Nc1ccc(=O)[nH]c1)C1CCCCC1.
What is the InChIKey of N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide?
The InChIKey is ZGALUBYNNJUVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-7-6-10(8-13-11)14-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,15)(H,14,16).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide?
N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 86589181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).