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

C71H61F5N18O3 — CID 158104862

IUPACN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESC.CC(F)(F)c1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.Cc1cc(-c2cnc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2C)ccn1.Cc1cc(-c2cnccn2)cnc1C(=O)NCc1ccc(-c2ccnc(C(C)(F)F)c2)nc1
InChIInChI=1S/C24H20F2N6O.C23H17F3N6O.C23H20N6O.CH4/c1-15-9-18(20-14-27-7-8-28-20)13-31-22(15)23(33)32-12-16-3-4-19(30-11-16)17-5-6-29-21(10-17)24(2,25)26;1-23(25,26)20-9-15(4-5-29-20)21-17(24)8-14(10-31-21)11-32-22(33)18-3-2-16(12-30-18)19-13-27-6-7-28-19;1-15-9-19(27-13-20(15)17-5-6-25-16(2)10-17)12-29-23(30)21-4-3-18(11-28-21)22-14-24-7-8-26-22;/h3-11,13-14H,12H2,1-2H3,(H,32,33);2-10,12-13H,11H2,1H3,(H,32,33);3-11,13-14H,12H2,1-2H3,(H,29,30);1H4
InChIKeyFPSCPBZIUFKCPL-UHFFFAOYSA-N
MW1309.38 g/mol
LogP12.70
Rot. Bonds17

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

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (PubChem CID 158104862) has the molecular formula C71H61F5N18O3 and a molecular weight of 1309.38 g/mol. Its IUPAC name is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
PubChem CID158104862
Molecular FormulaC71H61F5N18O3
Molecular Weight1309.38 g/mol
Exact Mass1308.51
IUPAC NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESC.CC(F)(F)c1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.Cc1cc(-c2cnc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2C)ccn1.Cc1cc(-c2cnccn2)cnc1C(=O)NCc1ccc(-c2ccnc(C(C)(F)F)c2)nc1
InChIInChI=1S/C24H20F2N6O.C23H17F3N6O.C23H20N6O.CH4/c1-15-9-18(20-14-27-7-8-28-20)13-31-22(15)23(33)32-12-16-3-4-19(30-11-16)17-5-6-29-21(10-17)24(2,25)26;1-23(25,26)20-9-15(4-5-29-20)21-17(24)8-14(10-31-21)11-32-22(33)18-3-2-16(12-30-18)19-13-27-6-7-28-19;1-15-9-19(27-13-20(15)17-5-6-25-16(2)10-17)12-29-23(30)21-4-3-18(11-28-21)22-14-24-7-8-26-22;/h3-11,13-14H,12H2,1-2H3,(H,32,33);2-10,12-13H,11H2,1H3,(H,32,33);3-11,13-14H,12H2,1-2H3,(H,29,30);1H4
InChIKeyFPSCPBZIUFKCPL-UHFFFAOYSA-N
XLogP12.70
TPSA280.65 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.38
LogP ≤ 512.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lgh-447
CID 44814409
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 127041542
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 127042183
(3R,5S)-3,5-Dimethyl-1-({4-[2-({4-[(4-Fluorophenyl)methyl]piperidin-1-yl}carbonyl)pyridin-3-yl]phenyl}methyl)piperazine
CID 11993730
(3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)pyridin-2-yl)(4-(4-fluorophenylamino)piperidin-1-yl)methanone
CID 16040587
[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]-2-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 16040939
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
CID 16040940
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]-2-pyridinyl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
CID 16040941
[4-(3,4-difluoroanilino)piperidin-1-yl]-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]methanone
CID 16041119

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (CID 158104862) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is C.CC(F)(F)c1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.Cc1cc(-c2cnc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2C)ccn1.Cc1cc(-c2cnccn2)cnc1C(=O)NCc1ccc(-c2ccnc(C(C)(F)F)c2)nc1.
What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The InChIKey is FPSCPBZIUFKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O.C23H17F3N6O.C23H20N6O.CH4/c1-15-9-18(20-14-27-7-8-28-20)13-31-22(15)23(33)32-12-16-3-4-19(30-11-16)17-5-6-29-21(10-17)24(2,25)26;1-23(25,26)20-9-15(4-5-29-20)21-17(24)8-14(10-31-21)11-32-22(33)18-3-2-16(12-30-18)19-13-27-6-7-28-19;1-15-9-19(27-13-20(15)17-5-6-25-16(2)10-17)12-29-23(30)21-4-3-18(11-28-21)22-14-24-7-8-26-22;/h3-11,13-14H,12H2,1-2H3,(H,32,33);2-10,12-13H,11H2,1H3,(H,32,33);3-11,13-14H,12H2,1-2H3,(H,29,30);1H4.
What are the key properties of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide has a molecular weight of 1309.38 g/mol, XLogP of 12.70, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-3-methyl-5-pyrazin-2-ylpyridine-2-carboxamide;methane;N-[[4-methyl-5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 158104862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).