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

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Related Compounds

1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
CID 55468735
methyl (2R,3R,5R)-3-methyl-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]oxolane-2-carboxylate
CID 166248094
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 46668940
6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24597293
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]acetamide
CID 34425861

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).