N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

C20H28N4O — CID 20919389

IUPACN-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C20H28N4O/c1-14-8-6-7-10-17(14)23-20(25)16-13-22-24-18-11-5-3-2-4-9-15(18)12-21-19(16)24/h12-14,17H,2-11H2,1H3,(H,23,25)
InChIKeyHLHDUDXRJKNQPB-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.70
Rot. Bonds2

About N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20919389) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20919389
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C20H28N4O/c1-14-8-6-7-10-17(14)23-20(25)16-13-22-24-18-11-5-3-2-4-9-15(18)12-21-19(16)24/h12-14,17H,2-11H2,1H3,(H,23,25)
InChIKeyHLHDUDXRJKNQPB-UHFFFAOYSA-N
XLogP3.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20919389) is N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is CC1CCCCC1NC(=O)c1cnn2c3c(cnc12)CCCCCC3.
What is the InChIKey of N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is HLHDUDXRJKNQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-8-6-7-10-17(14)23-20(25)16-13-22-24-18-11-5-3-2-4-9-15(18)12-21-19(16)24/h12-14,17H,2-11H2,1H3,(H,23,25).
What are the key properties of N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20919389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).