9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide

C18H15N3O2 — CID 11833682

IUPAC9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1[nH]c2cccc3c2c1CCNC3=O
InChIInChI=1S/C18H15N3O2/c22-17-13-7-4-8-14-15(13)12(9-10-19-17)16(21-14)18(23)20-11-5-2-1-3-6-11/h1-8,21H,9-10H2,(H,19,22)(H,20,23)
InChIKeyQKNOJBQUFNZCJE-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.71
Rot. Bonds2

About 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide

9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide (PubChem CID 11833682) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
PubChem CID11833682
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1[nH]c2cccc3c2c1CCNC3=O
InChIInChI=1S/C18H15N3O2/c22-17-13-7-4-8-14-15(13)12(9-10-19-17)16(21-14)18(23)20-11-5-2-1-3-6-11/h1-8,21H,9-10H2,(H,19,22)(H,20,23)
InChIKeyQKNOJBQUFNZCJE-UHFFFAOYSA-N
XLogP2.71
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The IUPAC name of 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide (CID 11833682) is 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide.
What is the SMILES notation for 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The canonical SMILES for 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide is O=C(Nc1ccccc1)c1[nH]c2cccc3c2c1CCNC3=O.
What is the InChIKey of 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The InChIKey is QKNOJBQUFNZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-13-7-4-8-14-15(13)12(9-10-19-17)16(21-14)18(23)20-11-5-2-1-3-6-11/h1-8,21H,9-10H2,(H,19,22)(H,20,23).
What are the key properties of 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide is sourced from PubChem (CID 11833682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).