9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C18H15N3O3 — CID 54676958

About 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54676958) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

• Compound Name: 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
• PubChem CID: 54676958
• Molecular Formula: C18H15N3O3
• Molecular Weight: 321.34 g/mol
• Exact Mass: 321.11
• IUPAC Name: 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
• SMILES: Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)n1
• InChI: InChI=1S/C18H15N3O3/c1-10-4-2-7-13(19-10)20-17(23)14-16(22)12-6-3-5-11-8-9-21(15(11)12)18(14)24/h2-7,22H,8-9H2,1H3,(H,19,20,23)
• InChIKey: PLZUEDWFLYAJGC-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.34
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

The IUPAC name of 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54676958) is 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

What is the SMILES notation for 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

The canonical SMILES for 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)n1.

What is the InChIKey of 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

The InChIKey is PLZUEDWFLYAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-4-2-7-13(19-10)20-17(23)14-16(22)12-6-3-5-11-8-9-21(15(11)12)18(14)24/h2-7,22H,8-9H2,1H3,(H,19,20,23).

What are the key properties of 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54676958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).