N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide

C11H15N3O2 — CID 66181905

IUPACN-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(O)c1)C1CNC1
InChIInChI=1S/C11H15N3O2/c1-2-14(9-5-13-6-9)11(16)8-3-10(15)7-12-4-8/h3-4,7,9,13,15H,2,5-6H2,1H3
InChIKeyPYBRAROXMLLKCU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.22
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide

N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide (PubChem CID 66181905) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
PubChem CID66181905
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(O)c1)C1CNC1
InChIInChI=1S/C11H15N3O2/c1-2-14(9-5-13-6-9)11(16)8-3-10(15)7-12-4-8/h3-4,7,9,13,15H,2,5-6H2,1H3
InChIKeyPYBRAROXMLLKCU-UHFFFAOYSA-N
XLogP0.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide (CID 66181905) is N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide is CCN(C(=O)c1cncc(O)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
The InChIKey is PYBRAROXMLLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-14(9-5-13-6-9)11(16)8-3-10(15)7-12-4-8/h3-4,7,9,13,15H,2,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 66181905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).