N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide

C27H32F4N4O2 — CID 169321663

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide (PubChem CID 169321663) has the molecular formula C27H32F4N4O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide
• PubChem CID: 169321663
• Molecular Formula: C27H32F4N4O2
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.25
• IUPAC Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1cn(C2(CF)CC2)c(=O)cc1NC1[C@@H]2CC[C@H]1CN(C)C2)c1cccc(C(F)F)c1F
• InChI: InChI=1S/C27H32F4N4O2/c1-15(18-4-3-5-19(23(18)29)25(30)31)32-26(37)20-13-35(27(14-28)8-9-27)22(36)10-21(20)33-24-16-6-7-17(24)12-34(2)11-16/h3-5,10,13,15-17,24-25,33H,6-9,11-12,14H2,1-2H3,(H,32,37)/t15-,16-,17+,24?/m1/s1
• InChIKey: UYLRTIHQZDPKET-PLYSHXJFSA-N
• XLogP: 4.63
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide?

The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide (CID 169321663) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C2(CF)CC2)c(=O)cc1NC1[C@@H]2CC[C@H]1CN(C)C2)c1cccc(C(F)F)c1F.

What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide?

The InChIKey is UYLRTIHQZDPKET-PLYSHXJFSA-N. The full InChI is InChI=1S/C27H32F4N4O2/c1-15(18-4-3-5-19(23(18)29)25(30)31)32-26(37)20-13-35(27(14-28)8-9-27)22(36)10-21(20)33-24-16-6-7-17(24)12-34(2)11-16/h3-5,10,13,15-17,24-25,33H,6-9,11-12,14H2,1-2H3,(H,32,37)/t15-,16-,17+,24?/m1/s1.

What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide?

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169321663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).