6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid

C24H29FN4O5 — CID 145290561

About 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid

6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid (PubChem CID 145290561) has the molecular formula C24H29FN4O5 and a molecular weight of 472.52 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
• PubChem CID: 145290561
• Molecular Formula: C24H29FN4O5
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.21
• IUPAC Name: 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
• SMILES: [H]/N=C(/c1c(OCC2CCN(C(=O)OC)CC2)cc(C(=O)O)nc1Nc1ccc(F)cc1)C(C)C
• InChI: InChI=1S/C24H29FN4O5/c1-14(2)21(26)20-19(34-13-15-8-10-29(11-9-15)24(32)33-3)12-18(23(30)31)28-22(20)27-17-6-4-16(25)5-7-17/h4-7,12,14-15,26H,8-11,13H2,1-3H3,(H,27,28)(H,30,31)/b26-21+
• InChIKey: XFJMZFSKSFAKJZ-YYADALCUSA-N
• XLogP: 4.54
• TPSA: 124.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid?

The IUPAC name of 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid (CID 145290561) is 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid.

What is the SMILES notation for 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid?

The canonical SMILES for 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid is [H]/N=C(/c1c(OCC2CCN(C(=O)OC)CC2)cc(C(=O)O)nc1Nc1ccc(F)cc1)C(C)C.

What is the InChIKey of 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid?

The InChIKey is XFJMZFSKSFAKJZ-YYADALCUSA-N. The full InChI is InChI=1S/C24H29FN4O5/c1-14(2)21(26)20-19(34-13-15-8-10-29(11-9-15)24(32)33-3)12-18(23(30)31)28-22(20)27-17-6-4-16(25)5-7-17/h4-7,12,14-15,26H,8-11,13H2,1-3H3,(H,27,28)(H,30,31)/b26-21+.

What are the key properties of 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid?

6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid has a molecular weight of 472.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 145290561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).