3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C15H15N3O2 — CID 47380030

IUPAC3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC1c1ccccn1
InChIInChI=1S/C15H15N3O2/c19-14-11(5-3-9-17-14)15(20)18-10-4-7-13(18)12-6-1-2-8-16-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,17,19)
InChIKeyAVJNDPVGTPVDMT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.75
Rot. Bonds2

About 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 47380030) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID47380030
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC1c1ccccn1
InChIInChI=1S/C15H15N3O2/c19-14-11(5-3-9-17-14)15(20)18-10-4-7-13(18)12-6-1-2-8-16-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,17,19)
InChIKeyAVJNDPVGTPVDMT-UHFFFAOYSA-N
XLogP1.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 95874922
3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95286779
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
3-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798576

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 47380030) is 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCC1c1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is AVJNDPVGTPVDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-11(5-3-9-17-14)15(20)18-10-4-7-13(18)12-6-1-2-8-16-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,17,19).
What are the key properties of 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 47380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).