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

C23H17F3N6O — CID 118500233

IUPACN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESCC(F)(F)c1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1
InChIInChI=1S/C23H17F3N6O/c1-23(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/h2-10,12-13H,11H2,1H3,(H,32,33)
InChIKeyJKTKBBCIQCHRLA-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.18
Rot. Bonds6

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]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (PubChem CID 118500233) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 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.

Molecular Properties

Compound NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
PubChem CID118500233
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESCC(F)(F)c1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1
InChIInChI=1S/C23H17F3N6O/c1-23(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/h2-10,12-13H,11H2,1H3,(H,32,33)
InChIKeyJKTKBBCIQCHRLA-UHFFFAOYSA-N
XLogP4.18
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 118500236
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-3-methyl-4-pyrazin-2-ylbenzamide
CID 89457567
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 118500238
N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 66632513
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 56597105
2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 46927365
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
CID 118500228
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
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 56597241
tert-butyl 4-[5-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 86679720
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236

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?
The IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (CID 118500233) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-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?
The canonical SMILES for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is CC(F)(F)c1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2F)ccn1.
What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The InChIKey is JKTKBBCIQCHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-23(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/h2-10,12-13H,11H2,1H3,(H,32,33).
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]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 118500233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).