N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide

C25H24F2N6O2 — CID 130405002

About N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide

N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide (PubChem CID 130405002) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
• PubChem CID: 130405002
• Molecular Formula: C25H24F2N6O2
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
• SMILES: CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)ccn1
• InChI: InChI=1S/C25H24F2N6O2/c1-4-25(26,27)21-8-16(5-6-29-21)23(34)32-19-9-20(15(2)30-12-19)18-7-17(10-28)22(31-11-18)33-13-24(3,35)14-33/h5-9,11-12,35H,4,13-14H2,1-3H3,(H,32,34)
• InChIKey: IJGLUBXNDXAPRY-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 115.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide?

The IUPAC name of N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide (CID 130405002) is N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)ccn1.

What is the InChIKey of N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide?

The InChIKey is IJGLUBXNDXAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-4-25(26,27)21-8-16(5-6-29-21)23(34)32-19-9-20(15(2)30-12-19)18-7-17(10-28)22(31-11-18)33-13-24(3,35)14-33/h5-9,11-12,35H,4,13-14H2,1-3H3,(H,32,34).

What are the key properties of N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide?

N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 130405002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).