3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one

C13H10N2O — CID 160959494

IUPAC3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one
SMILESO=C1Cc2cnc(-c3ccncc3)cc2C1
InChIInChI=1S/C13H10N2O/c16-12-5-10-7-13(15-8-11(10)6-12)9-1-3-14-4-2-9/h1-4,7-8H,5-6H2
InChIKeySWVDMCXMAPASJK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.81
Rot. Bonds1

About 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one

3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one (PubChem CID 160959494) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one.

Molecular Properties

Compound Name3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one
PubChem CID160959494
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one
SMILESO=C1Cc2cnc(-c3ccncc3)cc2C1
InChIInChI=1S/C13H10N2O/c16-12-5-10-7-13(15-8-11(10)6-12)9-1-3-14-4-2-9/h1-4,7-8H,5-6H2
InChIKeySWVDMCXMAPASJK-UHFFFAOYSA-N
XLogP1.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one?
The IUPAC name of 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one (CID 160959494) is 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one.
What is the SMILES notation for 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one?
The canonical SMILES for 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one is O=C1Cc2cnc(-c3ccncc3)cc2C1.
What is the InChIKey of 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one?
The InChIKey is SWVDMCXMAPASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-12-5-10-7-13(15-8-11(10)6-12)9-1-3-14-4-2-9/h1-4,7-8H,5-6H2.
What are the key properties of 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one?
3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one has a molecular weight of 210.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one is sourced from PubChem (CID 160959494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).