1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane

C26H33F5N4O2 — CID 169126925

About 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane

1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane (PubChem CID 169126925) has the molecular formula C26H33F5N4O2 and a molecular weight of 528.57 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane
• PubChem CID: 169126925
• Molecular Formula: C26H33F5N4O2
• Molecular Weight: 528.57 g/mol
• Exact Mass: 528.25
• IUPAC Name: 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane
• SMILES: CC.CN(C)C1CC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)C1
• InChI: InChI=1S/C24H27F5N4O2.C2H6/c1-32(2)15-8-14(9-15)31-18-10-19(34)33(24(6-7-24)23(28)29)12-17(18)22(35)30-11-13-4-3-5-16(20(13)25)21(26)27;1-2/h3-5,10,12,14-15,21,23,31H,6-9,11H2,1-2H3,(H,30,35);1-2H3
• InChIKey: IRATXARIEASDRP-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.57
LogP ≤ 5	5.14
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-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane?

The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane (CID 169126925) is 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane.

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

The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane is CC.CN(C)C1CC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)C1.

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

The InChIKey is IRATXARIEASDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N4O2.C2H6/c1-32(2)15-8-14(9-15)31-18-10-19(34)33(24(6-7-24)23(28)29)12-17(18)22(35)30-11-13-4-3-5-16(20(13)25)21(26)27;1-2/h3-5,10,12,14-15,21,23,31H,6-9,11H2,1-2H3,(H,30,35);1-2H3.

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

1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane has a molecular weight of 528.57 g/mol, XLogP of 5.14, 9 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-[[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 169126925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).