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

C19H22N4O2 — CID 4523316

IUPACN-cyclohexyl-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(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1
InChIInChI=1S/C19H22N4O2/c1-21(13-8-4-3-5-9-13)19(25)15-12-14-17(22(15)2)20-16-10-6-7-11-23(16)18(14)24/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyGKIKUMZOJQVNMW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.59
Rot. Bonds2

About N-cyclohexyl-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-cyclohexyl-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 4523316) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclohexyl-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-cyclohexyl-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 CID4523316
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cyclohexyl-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(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1
InChIInChI=1S/C19H22N4O2/c1-21(13-8-4-3-5-9-13)19(25)15-12-14-17(22(15)2)20-16-10-6-7-11-23(16)18(14)24/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyGKIKUMZOJQVNMW-UHFFFAOYSA-N
XLogP2.59
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-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-cyclohexyl-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 4523316) is N-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-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 GKIKUMZOJQVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21(13-8-4-3-5-9-13)19(25)15-12-14-17(22(15)2)20-16-10-6-7-11-23(16)18(14)24/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-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-cyclohexyl-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 338.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-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 4523316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).