(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide

C17H14F3N3O3 — CID 134412696

IUPAC(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide
SMILESCON1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)Nc2cccc(F)n2)C1=O
InChIInChI=1S/C17H14F3N3O3/c1-26-23-8-10(9-5-6-11(18)12(19)7-9)15(17(23)25)16(24)22-14-4-2-3-13(20)21-14/h2-7,10,15H,8H2,1H3,(H,21,22,24)/t10-,15+/m1/s1
InChIKeyWTFGJUIGFZKYPI-BMIGLBTASA-N
MW365.31 g/mol
LogP2.24
Rot. Bonds4

About (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide

(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 134412696) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide
PubChem CID134412696
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide
SMILESCON1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)Nc2cccc(F)n2)C1=O
InChIInChI=1S/C17H14F3N3O3/c1-26-23-8-10(9-5-6-11(18)12(19)7-9)15(17(23)25)16(24)22-14-4-2-3-13(20)21-14/h2-7,10,15H,8H2,1H3,(H,21,22,24)/t10-,15+/m1/s1
InChIKeyWTFGJUIGFZKYPI-BMIGLBTASA-N
XLogP2.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412683
(3S,4S)-4-(4-chloro-2-fluoro-3-methoxyphenyl)-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412332
(3S,4S)-N-(2-fluoro-3-pyridinyl)-1-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412691
(3S,4R)-4-(3-chloro-1H-pyrazol-5-yl)-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055222
(3S,4R)-4-(4-bromo-5-chloro-1-methylpyrazol-3-yl)-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154617973
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
CID 163597452
(3S,4S)-N-(2,3-difluorophenyl)-4-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134411805
(3S,4S)-N-(3,4-difluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412268
(3S,4S)-4-[3-(difluoromethyl)-1-methylcyclohexa-2,4-dien-1-yl]-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155259832
(3R,4R)-4-(4-chloro-3-methoxyphenyl)-N-(2,3-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412328
N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
CID 104820872

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide (CID 134412696) is (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide is CON1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)Nc2cccc(F)n2)C1=O.
What is the InChIKey of (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WTFGJUIGFZKYPI-BMIGLBTASA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-26-23-8-10(9-5-6-11(18)12(19)7-9)15(17(23)25)16(24)22-14-4-2-3-13(20)21-14/h2-7,10,15H,8H2,1H3,(H,21,22,24)/t10-,15+/m1/s1.
What are the key properties of (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide?
(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134412696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).