N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide

C16H22N2O3 — CID 155962443

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(=O)n(CCO)c1
InChIInChI=1S/C16H22N2O3/c19-11-10-18-12-14(6-7-15(18)20)16(21)17-9-8-13-4-2-1-3-5-13/h4,6-7,12,19H,1-3,5,8-11H2,(H,17,21)
InChIKeyIUBDSJFMSAMSSU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 155962443) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID155962443
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(=O)n(CCO)c1
InChIInChI=1S/C16H22N2O3/c19-11-10-18-12-14(6-7-15(18)20)16(21)17-9-8-13-4-2-1-3-5-13/h4,6-7,12,19H,1-3,5,8-11H2,(H,17,21)
InChIKeyIUBDSJFMSAMSSU-UHFFFAOYSA-N
XLogP1.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109045001
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide (CID 155962443) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(=O)n(CCO)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is IUBDSJFMSAMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-11-10-18-12-14(6-7-15(18)20)16(21)17-9-8-13-4-2-1-3-5-13/h4,6-7,12,19H,1-3,5,8-11H2,(H,17,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155962443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).