methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid

C47H40F6N12O3 — CID 159323720

IUPACmethane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
SMILESC.Cc1cc(CN)cnc1-c1ccnc(C(F)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1.O=C(O)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C23H17F3N6O.C13H12F3N3.C10H7N3O2.CH4/c1-14-8-15(10-31-21(14)16-4-5-29-20(9-16)23(24,25)26)11-32-22(33)18-3-2-17(12-30-18)19-13-27-6-7-28-19;1-8-4-9(6-17)7-19-12(8)10-2-3-18-11(5-10)13(14,15)16;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9;/h2-10,12-13H,11H2,1H3,(H,32,33);2-5,7H,6,17H2,1H3;1-6H,(H,14,15);1H4
InChIKeyLECABOQGVXQKGD-UHFFFAOYSA-N
MW934.91 g/mol
LogP9.06
Rot. Bonds9

About methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid

methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid (PubChem CID 159323720) has the molecular formula C47H40F6N12O3 and a molecular weight of 934.91 g/mol. Its IUPAC name is methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Namemethane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
PubChem CID159323720
Molecular FormulaC47H40F6N12O3
Molecular Weight934.91 g/mol
Exact Mass934.33
IUPAC Namemethane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
SMILESC.Cc1cc(CN)cnc1-c1ccnc(C(F)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1.O=C(O)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C23H17F3N6O.C13H12F3N3.C10H7N3O2.CH4/c1-14-8-15(10-31-21(14)16-4-5-29-20(9-16)23(24,25)26)11-32-22(33)18-3-2-17(12-30-18)19-13-27-6-7-28-19;1-8-4-9(6-17)7-19-12(8)10-2-3-18-11(5-10)13(14,15)16;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9;/h2-10,12-13H,11H2,1H3,(H,32,33);2-5,7H,6,17H2,1H3;1-6H,(H,14,15);1H4
InChIKeyLECABOQGVXQKGD-UHFFFAOYSA-N
XLogP9.06
TPSA221.32 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.91
LogP ≤ 59.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid with MolForge

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Related Compounds

US20250042857, Example B-129
CID 169683233
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);samarium
CID 139213299
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);europium
CID 139213314
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);terbium
CID 139213329
Dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
CID 139213344
N-(2-{(3S)-3-[[4-Hydroxy-4-(5-pyrazin-2-ylpyridin-2-yl)cyclohexyl](methyl)amino]pyrrolidin-1-yl}-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 11342253
N-((3-Methyl-2'-(trifluoromethyl)-2,4'-bipyridin-5-yl)methyl)-5-(pyrazin-2-yl)picolinamide
CID 56599159
N-[2-[3-[[4-hydroxy-4-(5-pyrazin-2-ylpyridin-2-yl)cyclohexyl]-methylamino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 57803337
5-[3,3-Difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methylpyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69243400
4-[3,3-Difluoro-3-[2-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]propyl]benzoic acid
CID 69243633
5-[3-Fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid
CID 69244084
5-[3,3-Difluoro-3-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69244524

Frequently Asked Questions

What is the IUPAC name of methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid (CID 159323720) is methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid is C.Cc1cc(CN)cnc1-c1ccnc(C(F)(F)F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1.O=C(O)c1ccc(-c2cnccn2)cn1.
What is the InChIKey of methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
The InChIKey is LECABOQGVXQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O.C13H12F3N3.C10H7N3O2.CH4/c1-14-8-15(10-31-21(14)16-4-5-29-20(9-16)23(24,25)26)11-32-22(33)18-3-2-17(12-30-18)19-13-27-6-7-28-19;1-8-4-9(6-17)7-19-12(8)10-2-3-18-11(5-10)13(14,15)16;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9;/h2-10,12-13H,11H2,1H3,(H,32,33);2-5,7H,6,17H2,1H3;1-6H,(H,14,15);1H4.
What are the key properties of methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid has a molecular weight of 934.91 g/mol, XLogP of 9.06, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 159323720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).