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

C20H24N4O2 — CID 4523318

IUPACN-cyclohexyl-N-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1
InChIInChI=1S/C20H24N4O2/c1-3-23(14-9-5-4-6-10-14)20(26)16-13-15-18(22(16)2)21-17-11-7-8-12-24(17)19(15)25/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyWZZBHTVPVYSXNO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.98
Rot. Bonds3

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

N-cyclohexyl-N-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 4523318) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-6-methyl-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-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID4523318
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-cyclohexyl-N-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1
InChIInChI=1S/C20H24N4O2/c1-3-23(14-9-5-4-6-10-14)20(26)16-13-15-18(22(16)2)21-17-11-7-8-12-24(17)19(15)25/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyWZZBHTVPVYSXNO-UHFFFAOYSA-N
XLogP2.98
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-6-methyl-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-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 4523318) is N-cyclohexyl-N-ethyl-6-methyl-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-ethyl-6-methyl-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-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is WZZBHTVPVYSXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-23(14-9-5-4-6-10-14)20(26)16-13-15-18(22(16)2)21-17-11-7-8-12-24(17)19(15)25/h7-8,11-14H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-cyclohexyl-N-ethyl-6-methyl-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 352.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-6-methyl-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 4523318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).