10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide

C18H17N3O2 — CID 24772716

IUPAC10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-17-14-8-4-5-12-9-10-21(15(11-19-17)16(12)14)18(23)20-13-6-2-1-3-7-13/h1-8,15H,9-11H2,(H,19,22)(H,20,23)
InChIKeyGGYGSHFEXPPXKX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.56
Rot. Bonds1

About 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide

10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide (PubChem CID 24772716) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide.

Molecular Properties

Compound Name10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
PubChem CID24772716
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-17-14-8-4-5-12-9-10-21(15(11-19-17)16(12)14)18(23)20-13-6-2-1-3-7-13/h1-8,15H,9-11H2,(H,19,22)(H,20,23)
InChIKeyGGYGSHFEXPPXKX-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The IUPAC name of 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide (CID 24772716) is 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide.
What is the SMILES notation for 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The canonical SMILES for 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide is O=C1NCC2c3c(cccc31)CCN2C(=O)Nc1ccccc1.
What is the InChIKey of 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The InChIKey is GGYGSHFEXPPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17-14-8-4-5-12-9-10-21(15(11-19-17)16(12)14)18(23)20-13-6-2-1-3-7-13/h1-8,15H,9-11H2,(H,19,22)(H,20,23).
What are the key properties of 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-N-phenyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide is sourced from PubChem (CID 24772716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).