3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C22H21N3O2 — CID 72857453

IUPAC3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESN[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H21N3O2/c23-19-14-25(13-18(19)15-7-3-1-4-8-15)22(27)17-11-12-20(24-21(17)26)16-9-5-2-6-10-16/h1-12,18-19H,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
InChIKeyWZYONJDSIVXPMN-MOPGFXCFSA-N
MW359.43 g/mol
LogP2.61
Rot. Bonds3

About 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 72857453) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID72857453
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESN[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H21N3O2/c23-19-14-25(13-18(19)15-7-3-1-4-8-15)22(27)17-11-12-20(24-21(17)26)16-9-5-2-6-10-16/h1-12,18-19H,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
InChIKeyWZYONJDSIVXPMN-MOPGFXCFSA-N
XLogP2.61
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 120748597
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-bromo-1H-pyridin-2-one
CID 120748398
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
CID 119637585
6-phenyl-3-(1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
CID 125483735
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120749297
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 120747550
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 120749362

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 72857453) is 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is N[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is WZYONJDSIVXPMN-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-19-14-25(13-18(19)15-7-3-1-4-8-15)22(27)17-11-12-20(24-21(17)26)16-9-5-2-6-10-16/h1-12,18-19H,13-14,23H2,(H,24,26)/t18-,19+/m1/s1.
What are the key properties of 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 72857453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).