3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C17H16F2N2O2 — CID 166615901

IUPAC3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H16F2N2O2/c18-13-7-12(8-14(19)9-13)6-11-3-5-21(10-11)17(23)15-2-1-4-20-16(15)22/h1-2,4,7-9,11H,3,5-6,10H2,(H,20,22)
InChIKeyAKZQOYVNRCKMGJ-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.36
Rot. Bonds3

About 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 166615901) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID166615901
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H16F2N2O2/c18-13-7-12(8-14(19)9-13)6-11-3-5-21(10-11)17(23)15-2-1-4-20-16(15)22/h1-2,4,7-9,11H,3,5-6,10H2,(H,20,22)
InChIKeyAKZQOYVNRCKMGJ-UHFFFAOYSA-N
XLogP2.36
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56919385
[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 166621585
5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136554321
3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95559981
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 111109373
(2-amino-1,3-benzothiazol-7-yl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;formic acid
CID 171325724
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
3-[3-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzoic acid
CID 120691977

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 166615901) is 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is AKZQOYVNRCKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-13-7-12(8-14(19)9-13)6-11-3-5-21(10-11)17(23)15-2-1-4-20-16(15)22/h1-2,4,7-9,11H,3,5-6,10H2,(H,20,22).
What are the key properties of 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 318.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 166615901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).