3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one

C18H17F3N2O3 — CID 166249883

IUPAC3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1ccc(C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]c3=O)C2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-26-14-4-2-11(3-5-14)12-6-7-23(10-12)17(25)15-8-13(18(19,20)21)9-22-16(15)24/h2-5,8-9,12H,6-7,10H2,1H3,(H,22,24)
InChIKeyXUEIPMNLAQSTES-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.03
Rot. Bonds3

About 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one

3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 166249883) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID166249883
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1ccc(C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]c3=O)C2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-26-14-4-2-11(3-5-14)12-6-7-23(10-12)17(25)15-8-13(18(19,20)21)9-22-16(15)24/h2-5,8-9,12H,6-7,10H2,1H3,(H,22,24)
InChIKeyXUEIPMNLAQSTES-UHFFFAOYSA-N
XLogP3.03
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 167926537
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one (CID 166249883) is 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one is COc1ccc(C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]c3=O)C2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XUEIPMNLAQSTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-26-14-4-2-11(3-5-14)12-6-7-23(10-12)17(25)15-8-13(18(19,20)21)9-22-16(15)24/h2-5,8-9,12H,6-7,10H2,1H3,(H,22,24).
What are the key properties of 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 366.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 166249883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).