6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

C18H20FN3O3 — CID 175657671

IUPAC6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1O
InChIInChI=1S/C18H20FN3O3/c1-21(9-12-5-7-13(19)8-6-12)15-10-22(11-16(15)23)18(25)14-3-2-4-17(24)20-14/h2-8,15-16,23H,9-11H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyZSJQINSKKAKXLQ-HZPDHXFCSA-N
MW345.37 g/mol
LogP0.83
Rot. Bonds4

About 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 175657671) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID175657671
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1O
InChIInChI=1S/C18H20FN3O3/c1-21(9-12-5-7-13(19)8-6-12)15-10-22(11-16(15)23)18(25)14-3-2-4-17(24)20-14/h2-8,15-16,23H,9-11H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyZSJQINSKKAKXLQ-HZPDHXFCSA-N
XLogP0.83
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 114040378
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CID 107262059
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
1-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110108671
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
6-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
CID 106316330
6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone
CID 110108715
2-[[(3S,4R)-1-(2-chloro-3-fluorobenzoyl)-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129324962
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 175657671) is 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1O.
What is the InChIKey of 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZSJQINSKKAKXLQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-21(9-12-5-7-13(19)8-6-12)15-10-22(11-16(15)23)18(25)14-3-2-4-17(24)20-14/h2-8,15-16,23H,9-11H2,1H3,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 345.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 175657671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).