4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide

C17H19N3O2S — CID 119838684

IUPAC4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)C1CC(O)CN1
InChIInChI=1S/C17H19N3O2S/c21-14-8-16(19-10-14)17(22)20-13-3-5-15(6-4-13)23-11-12-2-1-7-18-9-12/h1-7,9,14,16,19,21H,8,10-11H2,(H,20,22)
InChIKeyCSDIBTNQJBTNNQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.04
Rot. Bonds5

About 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119838684) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119838684
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)C1CC(O)CN1
InChIInChI=1S/C17H19N3O2S/c21-14-8-16(19-10-14)17(22)20-13-3-5-15(6-4-13)23-11-12-2-1-7-18-9-12/h1-7,9,14,16,19,21H,8,10-11H2,(H,20,22)
InChIKeyCSDIBTNQJBTNNQ-UHFFFAOYSA-N
XLogP2.04
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-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 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide (CID 119838684) is 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CSDIBTNQJBTNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-14-8-16(19-10-14)17(22)20-13-3-5-15(6-4-13)23-11-12-2-1-7-18-9-12/h1-7,9,14,16,19,21H,8,10-11H2,(H,20,22).
What are the key properties of 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119838684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).