3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide

C12H16N2O3 — CID 80707090

IUPAC3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccncc1O
InChIInChI=1S/C12H16N2O3/c15-11-8-13-5-4-10(11)12(16)14-6-3-9-2-1-7-17-9/h4-5,8-9,15H,1-3,6-7H2,(H,14,16)
InChIKeyHMIIPDYKEKAGHN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds4

About 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide

3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 80707090) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID80707090
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccncc1O
InChIInChI=1S/C12H16N2O3/c15-11-8-13-5-4-10(11)12(16)14-6-3-9-2-1-7-17-9/h4-5,8-9,15H,1-3,6-7H2,(H,14,16)
InChIKeyHMIIPDYKEKAGHN-UHFFFAOYSA-N
XLogP1.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
4-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 81240671
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244837
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide (CID 80707090) is 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide is O=C(NCCC1CCCO1)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is HMIIPDYKEKAGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-8-13-5-4-10(11)12(16)14-6-3-9-2-1-7-17-9/h4-5,8-9,15H,1-3,6-7H2,(H,14,16).
What are the key properties of 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 80707090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).