5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

C17H19N3O2 — CID 120750022

IUPAC5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c[nH]1
InChIInChI=1S/C17H19N3O2/c1-11-7-16(21)13(8-19-11)17(22)20-9-14(15(18)10-20)12-5-3-2-4-6-12/h2-8,14-15H,9-10,18H2,1H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyKCNFIBTUZCDOOG-LSDHHAIUSA-N
MW297.36 g/mol
LogP1.25
Rot. Bonds2

About 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 120750022) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID120750022
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c[nH]1
InChIInChI=1S/C17H19N3O2/c1-11-7-16(21)13(8-19-11)17(22)20-9-14(15(18)10-20)12-5-3-2-4-6-12/h2-8,14-15H,9-10,18H2,1H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyKCNFIBTUZCDOOG-LSDHHAIUSA-N
XLogP1.25
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 120745693
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one;hydrochloride
CID 120745692
3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 72857453
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-bromo-1H-pyridin-2-one
CID 120748398
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 120749362
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 120747550
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120747957
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (CID 120750022) is 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c[nH]1.
What is the InChIKey of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is KCNFIBTUZCDOOG-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-7-16(21)13(8-19-11)17(22)20-9-14(15(18)10-20)12-5-3-2-4-6-12/h2-8,14-15H,9-10,18H2,1H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 120750022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).