N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide

C17H18N2O4 — CID 24818204

IUPACN-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H18N2O4/c20-15-4-1-9-18-16(15)19-17(21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h1,4-9,14,20H,2-3,10-11H2,(H,18,19,21)
InChIKeyZJIHAOIPHJHVTI-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.60
Rot. Bonds5

About N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24818204) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID24818204
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H18N2O4/c20-15-4-1-9-18-16(15)19-17(21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h1,4-9,14,20H,2-3,10-11H2,(H,18,19,21)
InChIKeyZJIHAOIPHJHVTI-UHFFFAOYSA-N
XLogP2.60
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
4-(cyclopropylmethoxy)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 60572307
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 24818204) is N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ncccc1O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is ZJIHAOIPHJHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-4-1-9-18-16(15)19-17(21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h1,4-9,14,20H,2-3,10-11H2,(H,18,19,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 314.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24818204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).