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

C18H19ClFN3O — CID 68608609

IUPAC(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1
InChIInChI=1S/C18H19ClFN3O/c19-13-3-6-17(23-9-13)15-10-21-11-16(15)18(24)22-8-7-12-1-4-14(20)5-2-12/h1-6,9,15-16,21H,7-8,10-11H2,(H,22,24)/t15-,16-/m1/s1
InChIKeyQSHDJUPDGADVDF-HZPDHXFCSA-N
MW347.82 g/mol
LogP2.54
Rot. Bonds5

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

(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 68608609) 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-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID68608609
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1
InChIInChI=1S/C18H19ClFN3O/c19-13-3-6-17(23-9-13)15-10-21-11-16(15)18(24)22-8-7-12-1-4-14(20)5-2-12/h1-6,9,15-16,21H,7-8,10-11H2,(H,22,24)/t15-,16-/m1/s1
InChIKeyQSHDJUPDGADVDF-HZPDHXFCSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 68608609) is (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)[C@@H]1CNC[C@H]1c1ccc(Cl)cn1.
What is the InChIKey of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QSHDJUPDGADVDF-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-13-3-6-17(23-9-13)15-10-21-11-16(15)18(24)22-8-7-12-1-4-14(20)5-2-12/h1-6,9,15-16,21H,7-8,10-11H2,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of (3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-(5-chloro-2-pyridinyl)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 2.54, 5 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-[2-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 68608609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).