ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

C20H25FN2O3 — CID 144987205

About ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 144987205) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
• PubChem CID: 144987205
• Molecular Formula: C20H25FN2O3
• Molecular Weight: 360.43 g/mol
• Exact Mass: 360.18
• IUPAC Name: ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
• SMILES: CC.COc1cc2c(cc1F)C(CNc1cnccc1C(=O)O)CCC2
• InChI: InChI=1S/C18H19FN2O3.C2H6/c1-24-17-7-11-3-2-4-12(14(11)8-15(17)19)9-21-16-10-20-6-5-13(16)18(22)23;1-2/h5-8,10,12,21H,2-4,9H2,1H3,(H,22,23);1-2H3
• InChIKey: PTMQURKNCQNWFY-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.43
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

The IUPAC name of ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (CID 144987205) is ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.

What is the SMILES notation for ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

The canonical SMILES for ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is CC.COc1cc2c(cc1F)C(CNc1cnccc1C(=O)O)CCC2.

What is the InChIKey of ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

The InChIKey is PTMQURKNCQNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3.C2H6/c1-24-17-7-11-3-2-4-12(14(11)8-15(17)19)9-21-16-10-20-6-5-13(16)18(22)23;1-2/h5-8,10,12,21H,2-4,9H2,1H3,(H,22,23);1-2H3.

What are the key properties of ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?

ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 360.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 144987205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).