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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Related Compounds

5-[3-(1,3-difluoropropan-2-yloxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazine-2-carboxylic acid
CID 59127139
3-[5-(N'-hydroxycarbamimidoyl)pyrazin-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 137172773
3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
CID 59127122
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 59127124
[4-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]phenyl]phosphonic acid
CID 58528963
N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide
CID 53240873
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide
CID 160680331
ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate
CID 70935910
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
2-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-(4-methylsulfonyloxyphenoxy)phenoxy]propanoic acid
CID 174489068
3-fluoro-4-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]benzoic acid
CID 59864238
tert-butyl 2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]propanoate
CID 68709557

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).