(11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide

C16H20N4O2 — CID 44583186

IUPAC(11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
SMILESCC(C)=CN1Cc2c(C(N)=O)ccc3[nH]c(=O)n(c23)C[C@@H]1C
InChIInChI=1S/C16H20N4O2/c1-9(2)6-19-8-12-11(15(17)21)4-5-13-14(12)20(7-10(19)3)16(22)18-13/h4-6,10H,7-8H2,1-3H3,(H2,17,21)(H,18,22)/t10-/m0/s1
InChIKeyMSZTVIHOHAHOAM-JTQLQIEISA-N
MW300.36 g/mol
LogP1.56
Rot. Bonds2

About (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide

(11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide (PubChem CID 44583186) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide.

Molecular Properties

Compound Name(11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
PubChem CID44583186
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
SMILESCC(C)=CN1Cc2c(C(N)=O)ccc3[nH]c(=O)n(c23)C[C@@H]1C
InChIInChI=1S/C16H20N4O2/c1-9(2)6-19-8-12-11(15(17)21)4-5-13-14(12)20(7-10(19)3)16(22)18-13/h4-6,10H,7-8H2,1-3H3,(H2,17,21)(H,18,22)/t10-/m0/s1
InChIKeyMSZTVIHOHAHOAM-JTQLQIEISA-N
XLogP1.56
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
The IUPAC name of (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide (CID 44583186) is (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide.
What is the SMILES notation for (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
The canonical SMILES for (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide is CC(C)=CN1Cc2c(C(N)=O)ccc3[nH]c(=O)n(c23)C[C@@H]1C.
What is the InChIKey of (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
The InChIKey is MSZTVIHOHAHOAM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9(2)6-19-8-12-11(15(17)21)4-5-13-14(12)20(7-10(19)3)16(22)18-13/h4-6,10H,7-8H2,1-3H3,(H2,17,21)(H,18,22)/t10-/m0/s1.
What are the key properties of (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
(11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyl-10-(2-methylprop-1-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide is sourced from PubChem (CID 44583186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).