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

C18H16N4O3 — CID 71892103

IUPAC2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C18H16N4O3/c23-17(13-9-12-7-4-8-14(12)20-18(13)24)19-10-15-21-16(22-25-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyJKEAMSWBTHYATN-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.84
Rot. Bonds4

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

2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71892103) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71892103
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C18H16N4O3/c23-17(13-9-12-7-4-8-14(12)20-18(13)24)19-10-15-21-16(22-25-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyJKEAMSWBTHYATN-UHFFFAOYSA-N
XLogP1.84
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 126805827
2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 46964328
2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77079049
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6463503
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 50874997
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71937612
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
2-chloro-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8836733
N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119529374

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71892103) is 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is JKEAMSWBTHYATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-17(13-9-12-7-4-8-14(12)20-18(13)24)19-10-15-21-16(22-25-15)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,19,23)(H,20,24).
What are the key properties of 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71892103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).