3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide

C13H13N3O2 — CID 81443089

IUPAC3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1O)c1cccnc1
InChIInChI=1S/C13H13N3O2/c1-9(10-3-2-5-14-7-10)16-13(18)11-4-6-15-8-12(11)17/h2-9,17H,1H3,(H,16,18)
InChIKeyUISPPXIVQCXUFB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.67
Rot. Bonds3

About 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide

3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide (PubChem CID 81443089) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
PubChem CID81443089
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1O)c1cccnc1
InChIInChI=1S/C13H13N3O2/c1-9(10-3-2-5-14-7-10)16-13(18)11-4-6-15-8-12(11)17/h2-9,17H,1H3,(H,16,18)
InChIKeyUISPPXIVQCXUFB-UHFFFAOYSA-N
XLogP1.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide (CID 81443089) is 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1O)c1cccnc1.
What is the InChIKey of 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
The InChIKey is UISPPXIVQCXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(10-3-2-5-14-7-10)16-13(18)11-4-6-15-8-12(11)17/h2-9,17H,1H3,(H,16,18).
What are the key properties of 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 81443089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).