N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide

C74H63F3N12O4 — CID 159462784

About N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide

N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide (PubChem CID 159462784) has the molecular formula C74H63F3N12O4 and a molecular weight of 1241.39 g/mol. Its IUPAC name is N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide.

Molecular Properties

• Compound Name: N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
• PubChem CID: 159462784
• Molecular Formula: C74H63F3N12O4
• Molecular Weight: 1241.39 g/mol
• Exact Mass: 1240.50
• IUPAC Name: N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
• SMILES: C.CC(F)(F)c1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1.Cn1cc(-c2ccc(CNC(=O)c3ccc(-c4cnccn4)cc3)cc2F)ccc1=O
• InChI: InChI=1S/C25H20F2N4O.C24H19FN4O2.C24H20N4O.CH4/c1-25(26,27)23-12-21(10-11-30-23)18-4-2-17(3-5-18)13-31-24(32)20-8-6-19(7-9-20)22-14-28-16-29-15-22;1-29-15-19(7-9-23(29)30)20-8-2-16(12-21(20)25)13-28-24(31)18-5-3-17(4-6-18)22-14-26-10-11-27-22;1-17-12-22(10-11-27-17)19-4-2-18(3-5-19)13-28-24(29)21-8-6-20(7-9-21)23-14-25-16-26-15-23;/h2-12,14-16H,13H2,1H3,(H,31,32);2-12,14-15H,13H2,1H3,(H,28,31);2-12,14-16H,13H2,1H3,(H,28,29);1H4
• InChIKey: LUULQSARQOANCX-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 212.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1241.39
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?

The IUPAC name of N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide (CID 159462784) is N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide.

What is the SMILES notation for N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?

The canonical SMILES for N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide is C.CC(F)(F)c1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1.Cn1cc(-c2ccc(CNC(=O)c3ccc(-c4cnccn4)cc3)cc2F)ccc1=O.

What is the InChIKey of N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?

The InChIKey is LUULQSARQOANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O.C24H19FN4O2.C24H20N4O.CH4/c1-25(26,27)23-12-21(10-11-30-23)18-4-2-17(3-5-18)13-31-24(32)20-8-6-19(7-9-20)22-14-28-16-29-15-22;1-29-15-19(7-9-23(29)30)20-8-2-16(12-21(20)25)13-28-24(31)18-5-3-17(4-6-18)22-14-26-10-11-27-22;1-17-12-22(10-11-27-17)19-4-2-18(3-5-19)13-28-24(29)21-8-6-20(7-9-21)23-14-25-16-26-15-23;/h2-12,14-16H,13H2,1H3,(H,31,32);2-12,14-15H,13H2,1H3,(H,28,31);2-12,14-16H,13H2,1H3,(H,28,29);1H4.

What are the key properties of N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?

N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide has a molecular weight of 1241.39 g/mol, XLogP of 13.91, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 159462784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).