N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide

C116H94F8N30O5 — CID 157446013

IUPACN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)nc3)cc2F)ccn1.Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(C)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1
InChIInChI=1S/3C24H20F2N6O.2C22H17FN6O/c1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)18-3-4-19(30-13-18)20-14-27-7-8-28-20;1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)19-4-3-18(13-30-19)20-14-27-7-8-28-20;1-15-10-16(12-29-22(15)17-7-9-27-21(11-17)24(2,25)26)13-30-23(33)18-5-6-19(28-14-18)20-4-3-8-31-32-20;1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)17-2-3-19(27-12-17)20-13-24-6-7-26-20;1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)19-3-2-17(12-27-19)20-13-24-6-7-26-20/h2*3-11,13-14H,12H2,1-2H3,(H,32,33);3-12,14H,13H2,1-2H3,(H,30,33);2*2-10,12-13H,11H2,1H3,(H,29,30)
InChIKeyBSFPFOZUWOLEPD-UHFFFAOYSA-N
MW2140.22 g/mol
LogP19.78
Rot. Bonds28

About N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (PubChem CID 157446013) has the molecular formula C116H94F8N30O5 and a molecular weight of 2140.22 g/mol. Its IUPAC name is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
PubChem CID157446013
Molecular FormulaC116H94F8N30O5
Molecular Weight2140.22 g/mol
Exact Mass2138.79
IUPAC NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)nc3)cc2F)ccn1.Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(C)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1
InChIInChI=1S/3C24H20F2N6O.2C22H17FN6O/c1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)18-3-4-19(30-13-18)20-14-27-7-8-28-20;1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)19-4-3-18(13-30-19)20-14-27-7-8-28-20;1-15-10-16(12-29-22(15)17-7-9-27-21(11-17)24(2,25)26)13-30-23(33)18-5-6-19(28-14-18)20-4-3-8-31-32-20;1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)17-2-3-19(27-12-17)20-13-24-6-7-26-20;1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)19-3-2-17(12-27-19)20-13-24-6-7-26-20/h2*3-11,13-14H,12H2,1-2H3,(H,32,33);3-12,14H,13H2,1-2H3,(H,30,33);2*2-10,12-13H,11H2,1H3,(H,29,30)
InChIKeyBSFPFOZUWOLEPD-UHFFFAOYSA-N
XLogP19.78
TPSA467.75 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms159
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.22
LogP ≤ 519.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-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-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (CID 157446013) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-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-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-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-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)nc3)cc2F)ccn1.Cc1cc(CNC(=O)c2ccc(-c3cccnn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(C)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1.
What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The InChIKey is BSFPFOZUWOLEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H20F2N6O.2C22H17FN6O/c1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)18-3-4-19(30-13-18)20-14-27-7-8-28-20;1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)19-4-3-18(13-30-19)20-14-27-7-8-28-20;1-15-10-16(12-29-22(15)17-7-9-27-21(11-17)24(2,25)26)13-30-23(33)18-5-6-19(28-14-18)20-4-3-8-31-32-20;1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)17-2-3-19(27-12-17)20-13-24-6-7-26-20;1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)19-3-2-17(12-27-19)20-13-24-6-7-26-20/h2*3-11,13-14H,12H2,1-2H3,(H,32,33);3-12,14H,13H2,1-2H3,(H,30,33);2*2-10,12-13H,11H2,1H3,(H,29,30).
What are the key properties of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide has a molecular weight of 2140.22 g/mol, XLogP of 19.78, 28 rotatable bonds, 5 hydrogen bond donors, and 30 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-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 157446013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).