N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide

C12H14N2O2 — CID 107363122

IUPACN-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CC=CCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c15-11-8-4-7-10(14-11)12(16)13-9-5-2-1-3-6-9/h1-2,4,7-9H,3,5-6H2,(H,13,16)(H,14,15)
InChIKeyWXJQEHFRGHQSTD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.21
Rot. Bonds2

About N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide

N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107363122) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107363122
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CC=CCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c15-11-8-4-7-10(14-11)12(16)13-9-5-2-1-3-6-9/h1-2,4,7-9H,3,5-6H2,(H,13,16)(H,14,15)
InChIKeyWXJQEHFRGHQSTD-UHFFFAOYSA-N
XLogP1.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide (CID 107363122) is N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide is O=C(NC1CC=CCC1)c1cccc(=O)[nH]1.
What is the InChIKey of N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is WXJQEHFRGHQSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-8-4-7-10(14-11)12(16)13-9-5-2-1-3-6-9/h1-2,4,7-9H,3,5-6H2,(H,13,16)(H,14,15).
What are the key properties of N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide?
N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107363122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).