3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide

C17H11N5O2 — CID 58349158

IUPAC3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1
InChIInChI=1S/C17H11N5O2/c18-8-12-3-1-4-13(7-12)17(23)22-15-10-20-11-16(21-15)24-14-5-2-6-19-9-14/h1-7,9-11H,(H,21,22,23)
InChIKeyDLQVIQMKTCLGMF-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.79
Rot. Bonds4

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

3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide (PubChem CID 58349158) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide
PubChem CID58349158
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1
InChIInChI=1S/C17H11N5O2/c18-8-12-3-1-4-13(7-12)17(23)22-15-10-20-11-16(21-15)24-14-5-2-6-19-9-14/h1-7,9-11H,(H,21,22,23)
InChIKeyDLQVIQMKTCLGMF-UHFFFAOYSA-N
XLogP2.79
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide (CID 58349158) is 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide is N#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1.
What is the InChIKey of 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide?
The InChIKey is DLQVIQMKTCLGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c18-8-12-3-1-4-13(7-12)17(23)22-15-10-20-11-16(21-15)24-14-5-2-6-19-9-14/h1-7,9-11H,(H,21,22,23).
What are the key properties of 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide?
3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide is sourced from PubChem (CID 58349158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).