2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide

C13H19N3O — CID 155699842

IUPAC2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide
SMILESNC(=O)C1=CC=C2CN3CCCCC(C3)N2C1
InChIInChI=1S/C13H19N3O/c14-13(17)10-4-5-12-9-15-6-2-1-3-11(8-15)16(12)7-10/h4-5,11H,1-3,6-9H2,(H2,14,17)
InChIKeyWCTXQFWIHQYYFD-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.47
Rot. Bonds1

About 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide

2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide (PubChem CID 155699842) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide.

Molecular Properties

Compound Name2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide
PubChem CID155699842
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide
SMILESNC(=O)C1=CC=C2CN3CCCCC(C3)N2C1
InChIInChI=1S/C13H19N3O/c14-13(17)10-4-5-12-9-15-6-2-1-3-11(8-15)16(12)7-10/h4-5,11H,1-3,6-9H2,(H2,14,17)
InChIKeyWCTXQFWIHQYYFD-UHFFFAOYSA-N
XLogP0.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide?
The IUPAC name of 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide (CID 155699842) is 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide.
What is the SMILES notation for 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide?
The canonical SMILES for 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide is NC(=O)C1=CC=C2CN3CCCCC(C3)N2C1.
What is the InChIKey of 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide?
The InChIKey is WCTXQFWIHQYYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(17)10-4-5-12-9-15-6-2-1-3-11(8-15)16(12)7-10/h4-5,11H,1-3,6-9H2,(H2,14,17).
What are the key properties of 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide?
2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazatricyclo[7.4.1.02,7]tetradeca-4,6-diene-4-carboxamide is sourced from PubChem (CID 155699842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).