5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

C20H23N3O4 — CID 71292625

About 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71292625) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 71292625
• Molecular Formula: C20H23N3O4
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.17
• IUPAC Name: 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc(N3C[C@@H]4C(NC)[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C20H23N3O4/c1-3-12-16(22-19(25)15(18(12)24)20(26)27)10-4-6-11(7-5-10)23-8-13-14(9-23)17(13)21-2/h4-7,13-14,17,21H,3,8-9H2,1-2H3,(H,26,27)(H2,22,24,25)/t13-,14+,17?
• InChIKey: FNTMCDHMKHHGOO-VMZNBEPHSA-N
• XLogP: 1.66
• TPSA: 105.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71292625) is 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3C[C@@H]4C(NC)[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is FNTMCDHMKHHGOO-VMZNBEPHSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-12-16(22-19(25)15(18(12)24)20(26)27)10-4-6-11(7-5-10)23-8-13-14(9-23)17(13)21-2/h4-7,13-14,17,21H,3,8-9H2,1-2H3,(H,26,27)(H2,22,24,25)/t13-,14+,17?.

What are the key properties of 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?

5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-6-[4-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71292625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).