N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide

C14H9N7O2 — CID 66505689

IUPACN-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
SMILESO=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccccc1
InChIInChI=1S/C14H9N7O2/c22-12(9-4-2-1-3-5-9)19-20-7-6-10-11(13(20)23)17-18-14-15-8-16-21(10)14/h1-8H,(H,19,22)
InChIKeyIILHUIYSSOLELM-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.22
Rot. Bonds2

About N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide

N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide (PubChem CID 66505689) has the molecular formula C14H9N7O2 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide.

Molecular Properties

Compound NameN-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
PubChem CID66505689
Molecular FormulaC14H9N7O2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC NameN-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
SMILESO=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccccc1
InChIInChI=1S/C14H9N7O2/c22-12(9-4-2-1-3-5-9)19-20-7-6-10-11(13(20)23)17-18-14-15-8-16-21(10)14/h1-8H,(H,19,22)
InChIKeyIILHUIYSSOLELM-UHFFFAOYSA-N
XLogP0.22
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide?
The IUPAC name of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide (CID 66505689) is N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide.
What is the SMILES notation for N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide?
The canonical SMILES for N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide is O=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccccc1.
What is the InChIKey of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide?
The InChIKey is IILHUIYSSOLELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7O2/c22-12(9-4-2-1-3-5-9)19-20-7-6-10-11(13(20)23)17-18-14-15-8-16-21(10)14/h1-8H,(H,19,22).
What are the key properties of N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide?
N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide has a molecular weight of 307.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide is sourced from PubChem (CID 66505689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).