N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H20N2O2 — CID 71884873

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCC1CC=CCC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H20N2O2/c19-15(17-10-11-5-2-1-3-6-11)13-9-12-7-4-8-14(12)18-16(13)20/h1-2,9,11H,3-8,10H2,(H,17,19)(H,18,20)
InChIKeyUACPPORPWNVYGR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.95
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71884873) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71884873
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCC1CC=CCC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H20N2O2/c19-15(17-10-11-5-2-1-3-6-11)13-9-12-7-4-8-14(12)18-16(13)20/h1-2,9,11H,3-8,10H2,(H,17,19)(H,18,20)
InChIKeyUACPPORPWNVYGR-UHFFFAOYSA-N
XLogP1.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.95
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

2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119463989
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111460143
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 118790782
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 72928083
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
2-oxo-N-(2-piperidin-3-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119558878
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate
CID 137349349
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71884873) is N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCC1CC=CCC1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is UACPPORPWNVYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(17-10-11-5-2-1-3-6-11)13-9-12-7-4-8-14(12)18-16(13)20/h1-2,9,11H,3-8,10H2,(H,17,19)(H,18,20).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.95, 3 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-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71884873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).