N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide

C125H111F7N26O7S — CID 158915067

About N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (PubChem CID 158915067) has the molecular formula C125H111F7N26O7S and a molecular weight of 2254.49 g/mol. Its IUPAC name is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
• PubChem CID: 158915067
• Molecular Formula: C125H111F7N26O7S
• Molecular Weight: 2254.49 g/mol
• Exact Mass: 2252.87
• IUPAC Name: N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
• SMILES: C=S1(=O)CCN(c2ccc(CNC(=O)c3ccc(-c4cnccn4)nc3)cn2)CC1.CC(F)(F)c1cc(-c2ccc(CCC(=O)c3ccc(-c4ccc(N5CCCC5=O)nc4)cn3)cn2)ccn1.Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4ncccc4C)cn3)cc2F)ccn1.Cc1cccnc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(C)(F)F)c3)nc2)nc1.Cc1cccnc1-c1ccc(C(=O)NCc2cnc(-c3ccnc(C(C)(F)F)c3)c(C)c2)nc1
• InChI: InChI=1S/C29H25F2N5O2.C26H23F2N5O.C25H21F2N5O.C24H20FN5O.C21H22N6O2S/c1-29(30,31)26-15-20(12-13-32-26)23-8-4-19(16-33-23)5-10-25(37)24-9-6-21(17-34-24)22-7-11-27(35-18-22)36-14-2-3-28(36)38;1-16-5-4-9-30-23(16)20-6-7-21(31-15-20)25(34)33-14-18-11-17(2)24(32-13-18)19-8-10-29-22(12-19)26(3,27)28;1-16-4-3-10-29-23(16)19-6-8-21(31-15-19)24(33)32-14-17-5-7-20(30-13-17)18-9-11-28-22(12-18)25(2,26)27;1-15-4-3-8-27-22(15)19-5-6-21(28-14-19)24(31)30-13-17-11-20(25)23(29-12-17)18-7-9-26-16(2)10-18;1-30(29)10-8-27(9-11-30)20-5-2-16(12-25-20)13-26-21(28)17-3-4-18(24-14-17)19-15-22-6-7-23-19/h4,6-9,11-13,15-18H,2-3,5,10,14H2,1H3;4-13,15H,14H2,1-3H3,(H,33,34);3-13,15H,14H2,1-2H3,(H,32,33);3-12,14H,13H2,1-2H3,(H,30,31);2-7,12,14-15H,1,8-11,13H2,(H,26,28)
• InChIKey: JHCZHSZMEUDQFV-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 431.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.49
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (CID 158915067) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is C=S1(=O)CCN(c2ccc(CNC(=O)c3ccc(-c4cnccn4)nc3)cn2)CC1.CC(F)(F)c1cc(-c2ccc(CCC(=O)c3ccc(-c4ccc(N5CCCC5=O)nc4)cn3)cn2)ccn1.Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4ncccc4C)cn3)cc2F)ccn1.Cc1cccnc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(C)(F)F)c3)nc2)nc1.Cc1cccnc1-c1ccc(C(=O)NCc2cnc(-c3ccnc(C(C)(F)F)c3)c(C)c2)nc1.

What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?

The InChIKey is JHCZHSZMEUDQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O2.C26H23F2N5O.C25H21F2N5O.C24H20FN5O.C21H22N6O2S/c1-29(30,31)26-15-20(12-13-32-26)23-8-4-19(16-33-23)5-10-25(37)24-9-6-21(17-34-24)22-7-11-27(35-18-22)36-14-2-3-28(36)38;1-16-5-4-9-30-23(16)20-6-7-21(31-15-20)25(34)33-14-18-11-17(2)24(32-13-18)19-8-10-29-22(12-19)26(3,27)28;1-16-4-3-10-29-23(16)19-6-8-21(31-15-19)24(33)32-14-17-5-7-20(30-13-17)18-9-11-28-22(12-18)25(2,26)27;1-15-4-3-8-27-22(15)19-5-6-21(28-14-19)24(31)30-13-17-11-20(25)23(29-12-17)18-7-9-26-16(2)10-18;1-30(29)10-8-27(9-11-30)20-5-2-16(12-25-20)13-26-21(28)17-3-4-18(24-14-17)19-15-22-6-7-23-19/h4,6-9,11-13,15-18H,2-3,5,10,14H2,1H3;4-13,15H,14H2,1-3H3,(H,33,34);3-13,15H,14H2,1-2H3,(H,32,33);3-12,14H,13H2,1-2H3,(H,30,31);2-7,12,14-15H,1,8-11,13H2,(H,26,28).

What are the key properties of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide has a molecular weight of 2254.49 g/mol, XLogP of 21.55, 30 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 158915067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).