4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C18H15N3O3 — CID 54683759

IUPAC4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C18H15N3O3/c22-16-12-7-3-5-11-6-4-10-21(15(11)12)18(24)14(16)17(23)20-13-8-1-2-9-19-13/h1-3,5,7-9,22H,4,6,10H2,(H,19,20,23)
InChIKeyDGWORQSVFKHJRV-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.30
Rot. Bonds2

About 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54683759) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54683759
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C18H15N3O3/c22-16-12-7-3-5-11-6-4-10-21(15(11)12)18(24)14(16)17(23)20-13-8-1-2-9-19-13/h1-3,5,7-9,22H,4,6,10H2,(H,19,20,23)
InChIKeyDGWORQSVFKHJRV-UHFFFAOYSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54683759) is 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is O=C(Nc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is DGWORQSVFKHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16-12-7-3-5-11-6-4-10-21(15(11)12)18(24)14(16)17(23)20-13-8-1-2-9-19-13/h1-3,5,7-9,22H,4,6,10H2,(H,19,20,23).
What are the key properties of 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54683759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).