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

C17H18N2O4 — CID 42939966

IUPACN-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ncccc1O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C17H18N2O4/c20-15-7-2-8-18-16(15)19-17(21)12-4-1-5-13(10-12)23-11-14-6-3-9-22-14/h1-2,4-5,7-8,10,14,20H,3,6,9,11H2,(H,18,19,21)
InChIKeyYZRDHZMFCGBADE-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.60
Rot. Bonds5

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

N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42939966) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID42939966
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ncccc1O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C17H18N2O4/c20-15-7-2-8-18-16(15)19-17(21)12-4-1-5-13(10-12)23-11-14-6-3-9-22-14/h1-2,4-5,7-8,10,14,20H,3,6,9,11H2,(H,18,19,21)
InChIKeyYZRDHZMFCGBADE-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-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 24818204
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 42939966) is N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ncccc1O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is YZRDHZMFCGBADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-7-2-8-18-16(15)19-17(21)12-4-1-5-13(10-12)23-11-14-6-3-9-22-14/h1-2,4-5,7-8,10,14,20H,3,6,9,11H2,(H,18,19,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(3-hydroxy-2-pyridinyl)-3-(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)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42939966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).