6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C17H18N2O2 — CID 86768761

IUPAC6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC2c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H18N2O2/c1-12-9-10-14(16(20)18-12)17(21)19-11-5-8-15(19)13-6-3-2-4-7-13/h2-4,6-7,9-10,15H,5,8,11H2,1H3,(H,18,20)
InChIKeyGLUBORGIHBGLPV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.66
Rot. Bonds2

About 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 86768761) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID86768761
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC2c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H18N2O2/c1-12-9-10-14(16(20)18-12)17(21)19-11-5-8-15(19)13-6-3-2-4-7-13/h2-4,6-7,9-10,15H,5,8,11H2,1H3,(H,18,20)
InChIKeyGLUBORGIHBGLPV-UHFFFAOYSA-N
XLogP2.66
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
3-[(3S)-3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95770521
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 86768761) is 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC2c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is GLUBORGIHBGLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-9-10-14(16(20)18-12)17(21)19-11-5-8-15(19)13-6-3-2-4-7-13/h2-4,6-7,9-10,15H,5,8,11H2,1H3,(H,18,20).
What are the key properties of 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 86768761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).