6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one

C19H21FN2O2 — CID 138002622

IUPAC6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCC2(C)Cc2cccc(F)c2)[nH]c(=O)c1
InChIInChI=1S/C19H21FN2O2/c1-13-9-16(21-17(23)10-13)18(24)22-8-4-7-19(22,2)12-14-5-3-6-15(20)11-14/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,21,23)
InChIKeyIHRZWOMZMPNWKK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.06
Rot. Bonds3

About 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one

6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one (PubChem CID 138002622) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
PubChem CID138002622
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCC2(C)Cc2cccc(F)c2)[nH]c(=O)c1
InChIInChI=1S/C19H21FN2O2/c1-13-9-16(21-17(23)10-13)18(24)22-8-4-7-19(22,2)12-14-5-3-6-15(20)11-14/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,21,23)
InChIKeyIHRZWOMZMPNWKK-UHFFFAOYSA-N
XLogP3.06
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-2-[(3-methylphenyl)methyl]pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136557602
(2S,4S)-2-[(3-fluorophenyl)methyl]-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
CID 66739381
[3-[(3-fluorophenoxy)methyl]phenyl]-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone
CID 136530957
1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
CID 115269279
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124993154
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 139007233
1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162632415
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110090792
4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one (CID 138002622) is 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCCC2(C)Cc2cccc(F)c2)[nH]c(=O)c1.
What is the InChIKey of 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
The InChIKey is IHRZWOMZMPNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-9-16(21-17(23)10-13)18(24)22-8-4-7-19(22,2)12-14-5-3-6-15(20)11-14/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,21,23).
What are the key properties of 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one has a molecular weight of 328.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-fluorophenyl)methyl]-2-methylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 138002622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).