3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide

C19H11N5O2 — CID 58337595

IUPAC3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESN#Cc1cc(NC(=O)c2cccc(C#N)c2)cc(Oc2cncnc2)c1
InChIInChI=1S/C19H11N5O2/c20-8-13-2-1-3-15(4-13)19(25)24-16-5-14(9-21)6-17(7-16)26-18-10-22-12-23-11-18/h1-7,10-12H,(H,24,25)
InChIKeyQXTJQSIMCLIGOU-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.26
Rot. Bonds4

About 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide

3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 58337595) has the molecular formula C19H11N5O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID58337595
Molecular FormulaC19H11N5O2
Molecular Weight341.33 g/mol
Exact Mass341.09
IUPAC Name3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESN#Cc1cc(NC(=O)c2cccc(C#N)c2)cc(Oc2cncnc2)c1
InChIInChI=1S/C19H11N5O2/c20-8-13-2-1-3-15(4-13)19(25)24-16-5-14(9-21)6-17(7-16)26-18-10-22-12-23-11-18/h1-7,10-12H,(H,24,25)
InChIKeyQXTJQSIMCLIGOU-UHFFFAOYSA-N
XLogP3.26
TPSA111.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide (CID 58337595) is 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide is N#Cc1cc(NC(=O)c2cccc(C#N)c2)cc(Oc2cncnc2)c1.
What is the InChIKey of 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is QXTJQSIMCLIGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N5O2/c20-8-13-2-1-3-15(4-13)19(25)24-16-5-14(9-21)6-17(7-16)26-18-10-22-12-23-11-18/h1-7,10-12H,(H,24,25).
What are the key properties of 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide?
3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 341.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-cyano-5-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 58337595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).