N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide

C22H15F3N6O2 — CID 66632513

IUPACN-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccnc(C(F)(F)F)c2)[nH]c(=O)c1)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H15F3N6O2/c23-22(24,25)19-9-14(3-4-28-19)17-7-13(8-20(32)31-17)10-30-21(33)16-2-1-15(11-29-16)18-12-26-5-6-27-18/h1-9,11-12H,10H2,(H,30,33)(H,31,32)
InChIKeyKVESAUMRVFYONI-UHFFFAOYSA-N
MW452.40 g/mol
LogP3.24
Rot. Bonds5

About N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide

N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (PubChem CID 66632513) has the molecular formula C22H15F3N6O2 and a molecular weight of 452.40 g/mol. Its IUPAC name is N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
PubChem CID66632513
Molecular FormulaC22H15F3N6O2
Molecular Weight452.40 g/mol
Exact Mass452.12
IUPAC NameN-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccnc(C(F)(F)F)c2)[nH]c(=O)c1)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H15F3N6O2/c23-22(24,25)19-9-14(3-4-28-19)17-7-13(8-20(32)31-17)10-30-21(33)16-2-1-15(11-29-16)18-12-26-5-6-27-18/h1-9,11-12H,10H2,(H,30,33)(H,31,32)
InChIKeyKVESAUMRVFYONI-UHFFFAOYSA-N
XLogP3.24
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 118500233
4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
CID 89468197
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 118500238
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 56597241
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
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
4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58916816
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893

Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (CID 66632513) is N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is O=C(NCc1cc(-c2ccnc(C(F)(F)F)c2)[nH]c(=O)c1)c1ccc(-c2cnccn2)cn1.
What is the InChIKey of N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The InChIKey is KVESAUMRVFYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O2/c23-22(24,25)19-9-14(3-4-28-19)17-7-13(8-20(32)31-17)10-30-21(33)16-2-1-15(11-29-16)18-12-26-5-6-27-18/h1-9,11-12H,10H2,(H,30,33)(H,31,32).
What are the key properties of N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide has a molecular weight of 452.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 66632513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).