3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid

C15H13N3O5 — CID 67489556

IUPAC3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(Oc2cnc(C(=O)N3CCC3)cn2)c1
InChIInChI=1S/C15H13N3O5/c19-10-4-9(15(21)22)5-11(6-10)23-13-8-16-12(7-17-13)14(20)18-2-1-3-18/h4-8,19H,1-3H2,(H,21,22)
InChIKeyBDADGRGQLAOFNW-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.52
Rot. Bonds4

About 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid (PubChem CID 67489556) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid
PubChem CID67489556
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(Oc2cnc(C(=O)N3CCC3)cn2)c1
InChIInChI=1S/C15H13N3O5/c19-10-4-9(15(21)22)5-11(6-10)23-13-8-16-12(7-17-13)14(20)18-2-1-3-18/h4-8,19H,1-3H2,(H,21,22)
InChIKeyBDADGRGQLAOFNW-UHFFFAOYSA-N
XLogP1.52
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(oxolan-3-yloxy)benzoic acid
CID 67315157
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
1-[3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-propan-2-yloxyphenyl]-2-(1H-pyrazol-5-yl)ethanone
CID 59746170
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
CID 53482140
[(Z)-1-[[3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S,3S)-3-hydroxybutan-2-yl]oxybenzoyl]amino]-3-(methylamino)prop-2-enylidene]azanium
CID 163937289
3-[5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyrazin-2-yl]oxybenzonitrile
CID 57494689
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-butan-2-yl]oxybenzamide
CID 143391745
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
CID 73224081
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 162561192
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
(5-hydroxy-2-methylphenyl)-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134709944
3-[[6-[1-(azetidin-1-yl)ethenyl]-3-pyridinyl]oxy]-5-propan-2-yloxybenzoic acid
CID 163632565

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid?
The IUPAC name of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid (CID 67489556) is 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid.
What is the SMILES notation for 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid?
The canonical SMILES for 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid is O=C(O)c1cc(O)cc(Oc2cnc(C(=O)N3CCC3)cn2)c1.
What is the InChIKey of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid?
The InChIKey is BDADGRGQLAOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c19-10-4-9(15(21)22)5-11(6-10)23-13-8-16-12(7-17-13)14(20)18-2-1-3-18/h4-8,19H,1-3H2,(H,21,22).
What are the key properties of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid?
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid has a molecular weight of 315.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid is sourced from PubChem (CID 67489556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).