N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C20H18N4O2 — CID 852282

IUPACN-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C20H18N4O2/c1-22(13-14-8-4-3-5-9-14)20(26)16-12-15-18(23(16)2)21-17-10-6-7-11-24(17)19(15)25/h3-12H,13H2,1-2H3
InChIKeyMFJBRCVWHDGKEG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.46
Rot. Bonds3

About N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 852282) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID852282
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C20H18N4O2/c1-22(13-14-8-4-3-5-9-14)20(26)16-12-15-18(23(16)2)21-17-10-6-7-11-24(17)19(15)25/h3-12H,13H2,1-2H3
InChIKeyMFJBRCVWHDGKEG-UHFFFAOYSA-N
XLogP2.46
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

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6-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 852282) is N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C.
What is the InChIKey of N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is MFJBRCVWHDGKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-22(13-14-8-4-3-5-9-14)20(26)16-12-15-18(23(16)2)21-17-10-6-7-11-24(17)19(15)25/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 852282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).