(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide

C18H19ClFN3O — CID 70890492

IUPAC(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1)c1ccccc1F
InChIInChI=1S/C18H19ClFN3O/c1-11(13-4-2-3-5-16(13)20)23-18(24)15-10-21-9-14(15)17-7-6-12(19)8-22-17/h2-8,11,14-15,21H,9-10H2,1H3,(H,23,24)/t11-,14+,15+/m0/s1
InChIKeyVADLSEGRGVDSKT-NILFDRSVSA-N
MW347.82 g/mol
LogP3.05
Rot. Bonds4

About (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide

(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 70890492) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID70890492
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1)c1ccccc1F
InChIInChI=1S/C18H19ClFN3O/c1-11(13-4-2-3-5-16(13)20)23-18(24)15-10-21-9-14(15)17-7-6-12(19)8-22-17/h2-8,11,14-15,21H,9-10H2,1H3,(H,23,24)/t11-,14+,15+/m0/s1
InChIKeyVADLSEGRGVDSKT-NILFDRSVSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-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)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 70890492) is (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1)c1ccccc1F.
What is the InChIKey of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VADLSEGRGVDSKT-NILFDRSVSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-11(13-4-2-3-5-16(13)20)23-18(24)15-10-21-9-14(15)17-7-6-12(19)8-22-17/h2-8,11,14-15,21H,9-10H2,1H3,(H,23,24)/t11-,14+,15+/m0/s1.
What are the key properties of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).