(1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide

C17H26N4O2 — CID 137256826

IUPAC(1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
SMILESCCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)N(CC)CC
InChIInChI=1S/C17H26N4O2/c1-4-15-18-14-10-12-8-7-11(9-13(14)16(22)19-15)21(12)17(23)20(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,18,19,22)/t11-,12+/m1/s1
InChIKeyJMXOXJWQYKDJIJ-NEPJUHHUSA-N
MW318.42 g/mol
LogP1.73
Rot. Bonds3

About (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide

(1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide (PubChem CID 137256826) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide.

Molecular Properties

Compound Name(1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
PubChem CID137256826
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
SMILESCCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)N(CC)CC
InChIInChI=1S/C17H26N4O2/c1-4-15-18-14-10-12-8-7-11(9-13(14)16(22)19-15)21(12)17(23)20(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,18,19,22)/t11-,12+/m1/s1
InChIKeyJMXOXJWQYKDJIJ-NEPJUHHUSA-N
XLogP1.73
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-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 (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
The IUPAC name of (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide (CID 137256826) is (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide.
What is the SMILES notation for (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
The canonical SMILES for (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide is CCc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)N(CC)CC.
What is the InChIKey of (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
The InChIKey is JMXOXJWQYKDJIJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-15-18-14-10-12-8-7-11(9-13(14)16(22)19-15)21(12)17(23)20(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,18,19,22)/t11-,12+/m1/s1.
What are the key properties of (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide?
(1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-N,N,5-triethyl-7-oxo-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide is sourced from PubChem (CID 137256826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).