7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C21H20FN3O4 — CID 151989858

About 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 151989858) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
• PubChem CID: 151989858
• Molecular Formula: C21H20FN3O4
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.14
• IUPAC Name: 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
• SMILES: COc1ncccc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3
• InChI: InChI=1S/C21H20FN3O4/c1-11-5-6-12-8-14(22)9-15-17(12)25(11)21(28)16(18(15)26)19(27)24-10-13-4-3-7-23-20(13)29-2/h3-4,7-9,11,26H,5-6,10H2,1-2H3,(H,24,27)
• InChIKey: UELAKTWEDYFLTC-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 93.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?

The IUPAC name of 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 151989858) is 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

What is the SMILES notation for 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?

The canonical SMILES for 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is COc1ncccc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3.

What is the InChIKey of 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?

The InChIKey is UELAKTWEDYFLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-11-5-6-12-8-14(22)9-15-17(12)25(11)21(28)16(18(15)26)19(27)24-10-13-4-3-7-23-20(13)29-2/h3-4,7-9,11,26H,5-6,10H2,1-2H3,(H,24,27).

What are the key properties of 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?

7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 151989858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).