3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide

C13H19N3O2 — CID 95284101

IUPAC3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
SMILESC[C@H](CNC(=O)c1ncccc1O)N1CCCC1
InChIInChI=1S/C13H19N3O2/c1-10(16-7-2-3-8-16)9-15-13(18)12-11(17)5-4-6-14-12/h4-6,10,17H,2-3,7-9H2,1H3,(H,15,18)/t10-/m1/s1
InChIKeyHZDPILAIJSTZBG-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds4

About 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide

3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide (PubChem CID 95284101) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
PubChem CID95284101
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
SMILESC[C@H](CNC(=O)c1ncccc1O)N1CCCC1
InChIInChI=1S/C13H19N3O2/c1-10(16-7-2-3-8-16)9-15-13(18)12-11(17)5-4-6-14-12/h4-6,10,17H,2-3,7-9H2,1H3,(H,15,18)/t10-/m1/s1
InChIKeyHZDPILAIJSTZBG-SNVBAGLBSA-N
XLogP1.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide (CID 95284101) is 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide is C[C@H](CNC(=O)c1ncccc1O)N1CCCC1.
What is the InChIKey of 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide?
The InChIKey is HZDPILAIJSTZBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(16-7-2-3-8-16)9-15-13(18)12-11(17)5-4-6-14-12/h4-6,10,17H,2-3,7-9H2,1H3,(H,15,18)/t10-/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide?
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 95284101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).