N-(4-ethyl-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

C16H13N7O2 — CID 66505604

IUPACN-(4-ethyl-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
SMILESCCc1nc2nnc3c(=O)n(NC(=O)c4ccccc4)ccc3n2n1
InChIInChI=1S/C16H13N7O2/c1-2-12-17-16-19-18-13-11(23(16)20-12)8-9-22(15(13)25)21-14(24)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,21,24)
InChIKeyADFAFLCBCRRRIT-UHFFFAOYSA-N
MW335.33 g/mol
LogP0.78
Rot. Bonds3

About N-(4-ethyl-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-(4-ethyl-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 66505604) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-(4-ethyl-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-(4-ethyl-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 CID66505604
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-(4-ethyl-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
SMILESCCc1nc2nnc3c(=O)n(NC(=O)c4ccccc4)ccc3n2n1
InChIInChI=1S/C16H13N7O2/c1-2-12-17-16-19-18-13-11(23(16)20-12)8-9-22(15(13)25)21-14(24)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,21,24)
InChIKeyADFAFLCBCRRRIT-UHFFFAOYSA-N
XLogP0.78
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-ethyl-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 with MolForge

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Related Compounds

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
(4-chlorophenyl)-(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)methanone
CID 66499321
N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide
CID 16653997
(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone
CID 66499320
N-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzamide
CID 12997620
methyl 11-(2-ethylphenyl)-10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504977
N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 66502132
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
N-pyrazol-1-ylbenzamide
CID 57160205
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
11-(3,5-dimethoxyphenyl)-4-methyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66501472

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-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-(4-ethyl-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 66505604) is N-(4-ethyl-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-(4-ethyl-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-(4-ethyl-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 CCc1nc2nnc3c(=O)n(NC(=O)c4ccccc4)ccc3n2n1.
What is the InChIKey of N-(4-ethyl-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 ADFAFLCBCRRRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-2-12-17-16-19-18-13-11(23(16)20-12)8-9-22(15(13)25)21-14(24)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,21,24).
What are the key properties of N-(4-ethyl-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-(4-ethyl-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 335.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-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 66505604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).