N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide

C16H22N2O3 — CID 27448613

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCCOc1c[nH]c(C(=O)NCCC2=CCCCC2)cc1=O
InChIInChI=1S/C16H22N2O3/c1-2-21-15-11-18-13(10-14(15)19)16(20)17-9-8-12-6-4-3-5-7-12/h6,10-11H,2-5,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyJNVXHTNBKRTIKV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 27448613) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID27448613
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCCOc1c[nH]c(C(=O)NCCC2=CCCCC2)cc1=O
InChIInChI=1S/C16H22N2O3/c1-2-21-15-11-18-13(10-14(15)19)16(20)17-9-8-12-6-4-3-5-7-12/h6,10-11H,2-5,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyJNVXHTNBKRTIKV-UHFFFAOYSA-N
XLogP2.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
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CID 17352908
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
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N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
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CID 109251112
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
CID 17112611
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
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N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
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CID 62046502

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide (CID 27448613) is N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide is CCOc1c[nH]c(C(=O)NCCC2=CCCCC2)cc1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is JNVXHTNBKRTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-15-11-18-13(10-14(15)19)16(20)17-9-8-12-6-4-3-5-7-12/h6,10-11H,2-5,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 27448613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).