1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

C26H30F6N4O3 — CID 169321662

About 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (PubChem CID 169321662) has the molecular formula C26H30F6N4O3 and a molecular weight of 560.54 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
• PubChem CID: 169321662
• Molecular Formula: C26H30F6N4O3
• Molecular Weight: 560.54 g/mol
• Exact Mass: 560.22
• IUPAC Name: 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
• SMILES: COc1ccc([C@@H](C)NC(=O)c2cn(C3(C(F)F)CC3)c(=O)cc2NC2CCN(C)CC2)c(F)c1C(F)(F)F
• InChI: InChI=1S/C26H30F6N4O3/c1-14(16-4-5-19(39-3)21(22(16)27)26(30,31)32)33-23(38)17-13-36(25(8-9-25)24(28)29)20(37)12-18(17)34-15-6-10-35(2)11-7-15/h4-5,12-15,24,34H,6-11H2,1-3H3,(H,33,38)/t14-/m1/s1
• InChIKey: IQHLIQXFHZJGDC-CQSZACIVSA-N
• XLogP: 4.77
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.54
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (CID 169321662) is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cn(C3(C(F)F)CC3)c(=O)cc2NC2CCN(C)CC2)c(F)c1C(F)(F)F.

What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The InChIKey is IQHLIQXFHZJGDC-CQSZACIVSA-N. The full InChI is InChI=1S/C26H30F6N4O3/c1-14(16-4-5-19(39-3)21(22(16)27)26(30,31)32)33-23(38)17-13-36(25(8-9-25)24(28)29)20(37)12-18(17)34-15-6-10-35(2)11-7-15/h4-5,12-15,24,34H,6-11H2,1-3H3,(H,33,38)/t14-/m1/s1.

What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide has a molecular weight of 560.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169321662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).