1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

C26H31F5N4O2 — CID 169321654

About 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (PubChem CID 169321654) has the molecular formula C26H31F5N4O2 and a molecular weight of 526.55 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
• PubChem CID: 169321654
• Molecular Formula: C26H31F5N4O2
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.24
• IUPAC Name: 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1cn(C2(C)CC(F)(F)C2)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F
• InChI: InChI=1S/C26H31F5N4O2/c1-15(17-5-4-6-18(22(17)27)23(28)29)32-24(37)19-12-35(25(2)13-26(30,31)14-25)21(36)11-20(19)33-16-7-9-34(3)10-8-16/h4-6,11-12,15-16,23,33H,7-10,13-14H2,1-3H3,(H,32,37)/t15-/m1/s1
• InChIKey: BZQQZCULFKCAID-OAHLLOKOSA-N
• XLogP: 5.07
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (CID 169321654) is 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C2(C)CC(F)(F)C2)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F.

What is the InChIKey of 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

The InChIKey is BZQQZCULFKCAID-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H31F5N4O2/c1-15(17-5-4-6-18(22(17)27)23(28)29)32-24(37)19-12-35(25(2)13-26(30,31)14-25)21(36)11-20(19)33-16-7-9-34(3)10-8-16/h4-6,11-12,15-16,23,33H,7-10,13-14H2,1-3H3,(H,32,37)/t15-/m1/s1.

What are the key properties of 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?

1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide has a molecular weight of 526.55 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169321654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).