2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

C16H13N3O — CID 11832254

IUPAC2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23
InChIInChI=1S/C16H13N3O/c20-16-12-4-1-5-13-14(12)11(6-8-18-16)15(19-13)10-3-2-7-17-9-10/h1-5,7,9,19H,6,8H2,(H,18,20)
InChIKeyKXPPOBXQOHQSAK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.52
Rot. Bonds1

About 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (PubChem CID 11832254) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
PubChem CID11832254
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23
InChIInChI=1S/C16H13N3O/c20-16-12-4-1-5-13-14(12)11(6-8-18-16)15(19-13)10-3-2-7-17-9-10/h1-5,7,9,19H,6,8H2,(H,18,20)
InChIKeyKXPPOBXQOHQSAK-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The IUPAC name of 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (CID 11832254) is 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is O=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23.
What is the InChIKey of 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The InChIKey is KXPPOBXQOHQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-12-4-1-5-13-14(12)11(6-8-18-16)15(19-13)10-3-2-7-17-9-10/h1-5,7,9,19H,6,8H2,(H,18,20).
What are the key properties of 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one has a molecular weight of 263.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 11832254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).