9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C17H13N3O3 — CID 54678166

IUPAC9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(Nc1cccnc1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C17H13N3O3/c21-15-12-5-1-3-10-6-8-20(14(10)12)17(23)13(15)16(22)19-11-4-2-7-18-9-11/h1-5,7,9,21H,6,8H2,(H,19,22)
InChIKeyKJESCRMXEKTEKR-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.91
Rot. Bonds2

About 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54678166) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID54678166
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(Nc1cccnc1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C17H13N3O3/c21-15-12-5-1-3-10-6-8-20(14(10)12)17(23)13(15)16(22)19-11-4-2-7-18-9-11/h1-5,7,9,21H,6,8H2,(H,19,22)
InChIKeyKJESCRMXEKTEKR-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54678166) is 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is O=C(Nc1cccnc1)c1c(O)c2cccc3c2n(c1=O)CC3.
What is the InChIKey of 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is KJESCRMXEKTEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15-12-5-1-3-10-6-8-20(14(10)12)17(23)13(15)16(22)19-11-4-2-7-18-9-11/h1-5,7,9,21H,6,8H2,(H,19,22).
What are the key properties of 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-11-oxo-N-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54678166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).