N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

C13H14N4O3 — CID 154865001

IUPACN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1CCc2cccnc21
InChIInChI=1S/C13H14N4O3/c18-12(15-7-5-10-16-13(19)20-17-10)9-4-3-8-2-1-6-14-11(8)9/h1-2,6,9H,3-5,7H2,(H,15,18)(H,16,17,19)
InChIKeyHVWDJGDGOHBBEJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.15
Rot. Bonds4

About N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide

N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (PubChem CID 154865001) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
PubChem CID154865001
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1CCc2cccnc21
InChIInChI=1S/C13H14N4O3/c18-12(15-7-5-10-16-13(19)20-17-10)9-4-3-8-2-1-6-14-11(8)9/h1-2,6,9H,3-5,7H2,(H,15,18)(H,16,17,19)
InChIKeyHVWDJGDGOHBBEJ-UHFFFAOYSA-N
XLogP0.15
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 138998695
6-bromo-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 166240756
(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 154865848
1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 137202849
N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754726
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
CID 115783806
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutan-1-one
CID 105115445
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79733271
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide (CID 154865001) is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is O=C(NCCc1noc(=O)[nH]1)C1CCc2cccnc21.
What is the InChIKey of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
The InChIKey is HVWDJGDGOHBBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12(15-7-5-10-16-13(19)20-17-10)9-4-3-8-2-1-6-14-11(8)9/h1-2,6,9H,3-5,7H2,(H,15,18)(H,16,17,19).
What are the key properties of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide?
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide is sourced from PubChem (CID 154865001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).