2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one

C16H13N3O — CID 11448426

IUPAC2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
SMILESO=C1NCCn2c(-c3ccccn3)cc3cccc1c32
InChIInChI=1S/C16H13N3O/c20-16-12-5-3-4-11-10-14(13-6-1-2-7-17-13)19(15(11)12)9-8-18-16/h1-7,10H,8-9H2,(H,18,20)
InChIKeyZGCVQPVWWBIGLU-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.45
Rot. Bonds1

About 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one

2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one (PubChem CID 11448426) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one.

Molecular Properties

Compound Name2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
PubChem CID11448426
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
SMILESO=C1NCCn2c(-c3ccccn3)cc3cccc1c32
InChIInChI=1S/C16H13N3O/c20-16-12-5-3-4-11-10-14(13-6-1-2-7-17-13)19(15(11)12)9-8-18-16/h1-7,10H,8-9H2,(H,18,20)
InChIKeyZGCVQPVWWBIGLU-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
The IUPAC name of 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one (CID 11448426) is 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one.
What is the SMILES notation for 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
The canonical SMILES for 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one is O=C1NCCn2c(-c3ccccn3)cc3cccc1c32.
What is the InChIKey of 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
The InChIKey is ZGCVQPVWWBIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-12-5-3-4-11-10-14(13-6-1-2-7-17-13)19(15(11)12)9-8-18-16/h1-7,10H,8-9H2,(H,18,20).
What are the key properties of 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one has a molecular weight of 263.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one is sourced from PubChem (CID 11448426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).