4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide

C13H15N3O2S — CID 133454925

IUPAC4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
SMILESCC(O)(CNc1ccncc1C(N)=O)c1ccsc1
InChIInChI=1S/C13H15N3O2S/c1-13(18,9-3-5-19-7-9)8-16-11-2-4-15-6-10(11)12(14)17/h2-7,18H,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyDDLOGBRHIKLZJG-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds5

About 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide

4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide (PubChem CID 133454925) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
PubChem CID133454925
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
SMILESCC(O)(CNc1ccncc1C(N)=O)c1ccsc1
InChIInChI=1S/C13H15N3O2S/c1-13(18,9-3-5-19-7-9)8-16-11-2-4-15-6-10(11)12(14)17/h2-7,18H,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyDDLOGBRHIKLZJG-UHFFFAOYSA-N
XLogP1.56
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide (CID 133454925) is 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide is CC(O)(CNc1ccncc1C(N)=O)c1ccsc1.
What is the InChIKey of 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide?
The InChIKey is DDLOGBRHIKLZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(18,9-3-5-19-7-9)8-16-11-2-4-15-6-10(11)12(14)17/h2-7,18H,8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide?
4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133454925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).