1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one

C19H22N2O2 — CID 94616102

IUPAC1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1=O
InChIInChI=1S/C19H22N2O2/c1-20-13-11-16(14-18(20)22)19(23)21-12-5-8-17(21)10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13-14,17H,5,8-10,12H2,1H3/t17-/m1/s1
InChIKeyMXZKCSNMFVRXQL-QGZVFWFLSA-N
MW310.40 g/mol
LogP2.62
Rot. Bonds4

About 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one

1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 94616102) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID94616102
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1=O
InChIInChI=1S/C19H22N2O2/c1-20-13-11-16(14-18(20)22)19(23)21-12-5-8-17(21)10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13-14,17H,5,8-10,12H2,1H3/t17-/m1/s1
InChIKeyMXZKCSNMFVRXQL-QGZVFWFLSA-N
XLogP2.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95578829
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one (CID 94616102) is 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one is Cn1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is MXZKCSNMFVRXQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-13-11-16(14-18(20)22)19(23)21-12-5-8-17(21)10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13-14,17H,5,8-10,12H2,1H3/t17-/m1/s1.
What are the key properties of 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one?
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 94616102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).