2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C17H18N2O3 — CID 71940019

IUPAC2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C17H18N2O3/c20-16-12(9-10-3-1-4-13(10)18-16)17(21)19-14-5-2-6-15-11(14)7-8-22-15/h7-9,14H,1-6H2,(H,18,20)(H,19,21)
InChIKeyYNFOUHONHURAQY-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.26
Rot. Bonds2

About 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71940019) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71940019
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C17H18N2O3/c20-16-12(9-10-3-1-4-13(10)18-16)17(21)19-14-5-2-6-15-11(14)7-8-22-15/h7-9,14H,1-6H2,(H,18,20)(H,19,21)
InChIKeyYNFOUHONHURAQY-UHFFFAOYSA-N
XLogP2.26
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 60734553
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 103891865
4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107207796
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86923838
3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
CID 71931313
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
CID 95383153

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71940019) is 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NC1CCCc2occc21)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is YNFOUHONHURAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-12(9-10-3-1-4-13(10)18-16)17(21)19-14-5-2-6-15-11(14)7-8-22-15/h7-9,14H,1-6H2,(H,18,20)(H,19,21).
What are the key properties of 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71940019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).