N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide

C14H18N2O2 — CID 131912358

IUPACN-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(=O)[nH]1)C1=CCCCC1
InChIInChI=1S/C14H18N2O2/c1-10(11-6-3-2-4-7-11)15-14(18)12-8-5-9-13(17)16-12/h5-6,8-10H,2-4,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyOJEFEGMZDONULN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.99
Rot. Bonds3

About N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 131912358) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID131912358
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(=O)[nH]1)C1=CCCCC1
InChIInChI=1S/C14H18N2O2/c1-10(11-6-3-2-4-7-11)15-14(18)12-8-5-9-13(17)16-12/h5-6,8-10H,2-4,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyOJEFEGMZDONULN-UHFFFAOYSA-N
XLogP1.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 103846215
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040411
N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 74233383
methyl (2S)-3-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]butanoate
CID 114040338
N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040306
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
CID 126454314

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (CID 131912358) is N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is CC(NC(=O)c1cccc(=O)[nH]1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is OJEFEGMZDONULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(11-6-3-2-4-7-11)15-14(18)12-8-5-9-13(17)16-12/h5-6,8-10H,2-4,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 131912358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).