N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride

C25H33ClF3N5O2 — CID 169321566

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride (PubChem CID 169321566) has the molecular formula C25H33ClF3N5O2 and a molecular weight of 528.02 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride
• PubChem CID: 169321566
• Molecular Formula: C25H33ClF3N5O2
• Molecular Weight: 528.02 g/mol
• Exact Mass: 527.23
• IUPAC Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride
• SMILES: C[C@@H](NC(=O)c1cn(C2(C)CNC2)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F.Cl
• InChI: InChI=1S/C25H32F3N5O2.ClH/c1-15(17-5-4-6-18(22(17)26)23(27)28)30-24(35)19-12-33(25(2)13-29-14-25)21(34)11-20(19)31-16-7-9-32(3)10-8-16;/h4-6,11-12,15-16,23,29,31H,7-10,13-14H2,1-3H3,(H,30,35);1H/t15-;/m1./s1
• InChIKey: SNAUGYPRUITWHG-XFULWGLBSA-N
• XLogP: 3.66
• TPSA: 78.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.02
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride (CID 169321566) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride.

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

The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride is C[C@@H](NC(=O)c1cn(C2(C)CNC2)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F.Cl.

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

The InChIKey is SNAUGYPRUITWHG-XFULWGLBSA-N. The full InChI is InChI=1S/C25H32F3N5O2.ClH/c1-15(17-5-4-6-18(22(17)26)23(27)28)30-24(35)19-12-33(25(2)13-29-14-25)21(34)11-20(19)31-16-7-9-32(3)10-8-16;/h4-6,11-12,15-16,23,29,31H,7-10,13-14H2,1-3H3,(H,30,35);1H/t15-;/m1./s1.

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

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride has a molecular weight of 528.02 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 169321566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).