3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide

C16H10N6O2 — CID 58349089

IUPAC3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)c1
InChIInChI=1S/C16H10N6O2/c17-5-11-2-1-3-12(4-11)16(23)22-14-8-18-9-15(21-14)24-13-6-19-10-20-7-13/h1-4,6-10H,(H,21,22,23)
InChIKeyRUVGOQTXBMVHCG-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.18
Rot. Bonds4

About 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide

3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide (PubChem CID 58349089) has the molecular formula C16H10N6O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
PubChem CID58349089
Molecular FormulaC16H10N6O2
Molecular Weight318.30 g/mol
Exact Mass318.09
IUPAC Name3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)c1
InChIInChI=1S/C16H10N6O2/c17-5-11-2-1-3-12(4-11)16(23)22-14-8-18-9-15(21-14)24-13-6-19-10-20-7-13/h1-4,6-10H,(H,21,22,23)
InChIKeyRUVGOQTXBMVHCG-UHFFFAOYSA-N
XLogP2.18
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide (CID 58349089) is 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide is N#Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)c1.
What is the InChIKey of 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide?
The InChIKey is RUVGOQTXBMVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O2/c17-5-11-2-1-3-12(4-11)16(23)22-14-8-18-9-15(21-14)24-13-6-19-10-20-7-13/h1-4,6-10H,(H,21,22,23).
What are the key properties of 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide?
3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide has a molecular weight of 318.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide is sourced from PubChem (CID 58349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).