1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

C24H27F5N4O2 — CID 169126718

About 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (PubChem CID 169126718) has the molecular formula C24H27F5N4O2 and a molecular weight of 498.50 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
• PubChem CID: 169126718
• Molecular Formula: C24H27F5N4O2
• Molecular Weight: 498.50 g/mol
• Exact Mass: 498.21
• IUPAC Name: 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
• SMILES: CN1CCC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)CC1
• InChI: InChI=1S/C24H27F5N4O2/c1-32-9-5-15(6-10-32)31-18-11-19(34)33(24(7-8-24)23(28)29)13-17(18)22(35)30-12-14-3-2-4-16(20(14)25)21(26)27/h2-4,11,13,15,21,23,31H,5-10,12H2,1H3,(H,30,35)
• InChIKey: GMIPEVRKLLJUMQ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.50
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (CID 169126718) is 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is CN1CCC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)CC1.

What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The InChIKey is GMIPEVRKLLJUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N4O2/c1-32-9-5-15(6-10-32)31-18-11-19(34)33(24(7-8-24)23(28)29)13-17(18)22(35)30-12-14-3-2-4-16(20(14)25)21(26)27/h2-4,11,13,15,21,23,31H,5-10,12H2,1H3,(H,30,35).

What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide has a molecular weight of 498.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).