(3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide

C18H18F3N3O2 — CID 134416122

IUPAC(3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C2(C)C=NC=C(F)C2)[C@H](C(=O)Nc2cccc(F)c2F)C1=O
InChIInChI=1S/C18H18F3N3O2/c1-18(6-10(19)7-22-9-18)11-8-24(2)17(26)14(11)16(25)23-13-5-3-4-12(20)15(13)21/h3-5,7,9,11,14H,6,8H2,1-2H3,(H,23,25)/t11-,14-,18?/m1/s1
InChIKeyPMJDVBXYKFIHPP-XXHWGDKOSA-N
MW365.36 g/mol
LogP2.90
Rot. Bonds3

About (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide

(3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 134416122) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID134416122
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name(3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C2(C)C=NC=C(F)C2)[C@H](C(=O)Nc2cccc(F)c2F)C1=O
InChIInChI=1S/C18H18F3N3O2/c1-18(6-10(19)7-22-9-18)11-8-24(2)17(26)14(11)16(25)23-13-5-3-4-12(20)15(13)21/h3-5,7,9,11,14H,6,8H2,1-2H3,(H,23,25)/t11-,14-,18?/m1/s1
InChIKeyPMJDVBXYKFIHPP-XXHWGDKOSA-N
XLogP2.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-N-(2,3-difluorophenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412113
(3S,4S)-N-(2,3-difluorophenyl)-4-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
(3S,4S)-N-(2,3-difluorophenyl)-1-methyl-4-(6-methylpyridazin-4-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412503
N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134411805
N-(2,3-difluorophenyl)-4-(4-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412548
(3R,4R)-N-(2,3-difluorophenyl)-4-(3-methoxy-5-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412693
(3R,4R)-4-(4-chloro-3-methoxyphenyl)-N-(2,3-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412328
(3S,4S)-4-(4-chlorophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416121
N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 153493495
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
CID 163597452
(3R,4R)-N-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412458
N-(2,3-difluorophenyl)-4-(4-ethoxy-3-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412556

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 134416122) is (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide is CN1C[C@@H](C2(C)C=NC=C(F)C2)[C@H](C(=O)Nc2cccc(F)c2F)C1=O.
What is the InChIKey of (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PMJDVBXYKFIHPP-XXHWGDKOSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-18(6-10(19)7-22-9-18)11-8-24(2)17(26)14(11)16(25)23-13-5-3-4-12(20)15(13)21/h3-5,7,9,11,14H,6,8H2,1-2H3,(H,23,25)/t11-,14-,18?/m1/s1.
What are the key properties of (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
(3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(2,3-difluorophenyl)-4-(5-fluoro-3-methyl-4H-pyridin-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134416122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).