3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide

C24H20F2N4O4 — CID 69342896

About 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide

3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide (PubChem CID 69342896) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
• PubChem CID: 69342896
• Molecular Formula: C24H20F2N4O4
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.15
• IUPAC Name: 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
• SMILES: NC(=O)c1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1C1CC1
• InChI: InChI=1S/C24H20F2N4O4/c25-24(26)33-18-8-7-15(11-19(18)34-24)30-23(32)16-3-1-2-4-17(16)29-12-14-9-10-28-21(22(27)31)20(14)13-5-6-13/h1-4,7-11,13,29H,5-6,12H2,(H2,27,31)(H,30,32)
• InChIKey: OPJXXPLRWVASSK-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 115.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?

The IUPAC name of 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide (CID 69342896) is 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?

The canonical SMILES for 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide is NC(=O)c1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1C1CC1.

What is the InChIKey of 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?

The InChIKey is OPJXXPLRWVASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c25-24(26)33-18-8-7-15(11-19(18)34-24)30-23(32)16-3-1-2-4-17(16)29-12-14-9-10-28-21(22(27)31)20(14)13-5-6-13/h1-4,7-11,13,29H,5-6,12H2,(H2,27,31)(H,30,32).

What are the key properties of 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?

3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 69342896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).