(3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

C17H14ClF2N3O2 — CID 134412013

IUPAC(3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](c2cc(F)cc(F)c2)[C@@H](C(=O)Nc2ncccc2Cl)C1=O
InChIInChI=1S/C17H14ClF2N3O2/c1-23-8-12(9-5-10(19)7-11(20)6-9)14(17(23)25)16(24)22-15-13(18)3-2-4-21-15/h2-7,12,14H,8H2,1H3,(H,21,22,24)/t12-,14+/m1/s1
InChIKeySCPROBLEYGJLRZ-OCCSQVGLSA-N
MW365.77 g/mol
LogP2.82
Rot. Bonds3

About (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

(3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 134412013) has the molecular formula C17H14ClF2N3O2 and a molecular weight of 365.77 g/mol. Its IUPAC name is (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID134412013
Molecular FormulaC17H14ClF2N3O2
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name(3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](c2cc(F)cc(F)c2)[C@@H](C(=O)Nc2ncccc2Cl)C1=O
InChIInChI=1S/C17H14ClF2N3O2/c1-23-8-12(9-5-10(19)7-11(20)6-9)14(17(23)25)16(24)22-15-13(18)3-2-4-21-15/h2-7,12,14H,8H2,1H3,(H,21,22,24)/t12-,14+/m1/s1
InChIKeySCPROBLEYGJLRZ-OCCSQVGLSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 134412013) is (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is CN1C[C@H](c2cc(F)cc(F)c2)[C@@H](C(=O)Nc2ncccc2Cl)C1=O.
What is the InChIKey of (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SCPROBLEYGJLRZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2/c1-23-8-12(9-5-10(19)7-11(20)6-9)14(17(23)25)16(24)22-15-13(18)3-2-4-21-15/h2-7,12,14H,8H2,1H3,(H,21,22,24)/t12-,14+/m1/s1.
What are the key properties of (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
(3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 365.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(3-chloro-2-pyridinyl)-4-(3,5-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134412013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).