1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide

C27H26F2N4O4 — CID 145414579

About 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 145414579) has the molecular formula C27H26F2N4O4 and a molecular weight of 508.53 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 145414579
• Molecular Formula: C27H26F2N4O4
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.19
• IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide
• SMILES: CN(CC(C)(C)C(=O)Nc1ccc2c(c1)CC(=O)N2)C(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C27H26F2N4O4/c1-27(2,26(37)30-18-7-9-22-17(12-18)13-23(34)31-22)15-32(3)24(35)19-5-4-10-33(25(19)36)14-16-6-8-20(28)21(29)11-16/h4-12H,13-15H2,1-3H3,(H,30,37)(H,31,34)
• InChIKey: XBVVFEDRSZVEKR-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 100.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 145414579) is 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide is CN(CC(C)(C)C(=O)Nc1ccc2c(c1)CC(=O)N2)C(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is XBVVFEDRSZVEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O4/c1-27(2,26(37)30-18-7-9-22-17(12-18)13-23(34)31-22)15-32(3)24(35)19-5-4-10-33(25(19)36)14-16-6-8-20(28)21(29)11-16/h4-12H,13-15H2,1-3H3,(H,30,37)(H,31,34).

What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide?

1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 508.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-difluorophenyl)methyl]-N-[2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 145414579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).