4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide

C24H18N6O4 — CID 13167972

IUPAC4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ncn2c(=O)c3c(C(=O)NCc4ccccc4)ncn3c(=O)c12
InChIInChI=1S/C24H18N6O4/c31-21(25-11-15-7-3-1-4-8-15)17-19-23(33)30-14-28-18(20(30)24(34)29(19)13-27-17)22(32)26-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,31)(H,26,32)
InChIKeyMYXPADWIELHKDA-UHFFFAOYSA-N
MW454.45 g/mol
LogP1.00
Rot. Bonds6

About 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide

4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide (PubChem CID 13167972) has the molecular formula C24H18N6O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide.

Molecular Properties

Compound Name4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide
PubChem CID13167972
Molecular FormulaC24H18N6O4
Molecular Weight454.45 g/mol
Exact Mass454.14
IUPAC Name4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ncn2c(=O)c3c(C(=O)NCc4ccccc4)ncn3c(=O)c12
InChIInChI=1S/C24H18N6O4/c31-21(25-11-15-7-3-1-4-8-15)17-19-23(33)30-14-28-18(20(30)24(34)29(19)13-27-17)22(32)26-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,31)(H,26,32)
InChIKeyMYXPADWIELHKDA-UHFFFAOYSA-N
XLogP1.00
TPSA126.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide with MolForge

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Related Compounds

methyl (2S)-2-[[10-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4-carbonyl]amino]-3-phenylpropanoate
CID 10461175
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
N-benzyl-1-(4-chlorophenyl)-1,2,4-triazole-3-carboxamide
CID 15944303
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
5-amino-1-N-benzylimidazole-1,4-dicarboxamide
CID 10999777
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467706
N-benzyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004374

Frequently Asked Questions

What is the IUPAC name of 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide?
The IUPAC name of 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide (CID 13167972) is 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide.
What is the SMILES notation for 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide?
The canonical SMILES for 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide is O=C(NCc1ccccc1)c1ncn2c(=O)c3c(C(=O)NCc4ccccc4)ncn3c(=O)c12.
What is the InChIKey of 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide?
The InChIKey is MYXPADWIELHKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O4/c31-21(25-11-15-7-3-1-4-8-15)17-19-23(33)30-14-28-18(20(30)24(34)29(19)13-27-17)22(32)26-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,31)(H,26,32).
What are the key properties of 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide?
4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide has a molecular weight of 454.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide is sourced from PubChem (CID 13167972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).