3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide

C15H14N6O3 — CID 70914260

IUPAC3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2cc(O)cc(Oc3cnc(N)cn3)c2)n1
InChIInChI=1S/C15H14N6O3/c1-21-3-2-13(20-21)19-15(23)9-4-10(22)6-11(5-9)24-14-8-17-12(16)7-18-14/h2-8,22H,1H3,(H2,16,17)(H,19,20,23)
InChIKeyNHUNLLZOKGOAKP-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.54
Rot. Bonds4

About 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide

3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 70914260) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID70914260
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2cc(O)cc(Oc3cnc(N)cn3)c2)n1
InChIInChI=1S/C15H14N6O3/c1-21-3-2-13(20-21)19-15(23)9-4-10(22)6-11(5-9)24-14-8-17-12(16)7-18-14/h2-8,22H,1H3,(H2,16,17)(H,19,20,23)
InChIKeyNHUNLLZOKGOAKP-UHFFFAOYSA-N
XLogP1.54
TPSA128.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide (CID 70914260) is 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2cc(O)cc(Oc3cnc(N)cn3)c2)n1.
What is the InChIKey of 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is NHUNLLZOKGOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-21-3-2-13(20-21)19-15(23)9-4-10(22)6-11(5-9)24-14-8-17-12(16)7-18-14/h2-8,22H,1H3,(H2,16,17)(H,19,20,23).
What are the key properties of 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazin-2-yl)oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 70914260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).