3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide

C18H12F4N4O — CID 58683977

IUPAC3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C18H12F4N4O/c1-10-2-3-11(18(20,21)22)6-13(10)15-8-25-16(9-24-15)26-17(27)12-4-5-23-7-14(12)19/h2-9H,1H3,(H,25,26,27)
InChIKeyXEQJGCAHVWCSHU-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.26
Rot. Bonds3

About 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide

3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 58683977) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID58683977
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC Name3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C18H12F4N4O/c1-10-2-3-11(18(20,21)22)6-13(10)15-8-25-16(9-24-15)26-17(27)12-4-5-23-7-14(12)19/h2-9H,1H3,(H,25,26,27)
InChIKeyXEQJGCAHVWCSHU-UHFFFAOYSA-N
XLogP4.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;3-methylpyridine-4-carbonyl chloride
CID 160860559
ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70323331
N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 58683993
5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
N-[5-(2-chloro-3,4,6-trifluoro-5-methylphenyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
CID 87924083
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 58487162
N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228
2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 118378708
4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 70979582
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (CID 58683977) is 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is Cc1ccc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is XEQJGCAHVWCSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c1-10-2-3-11(18(20,21)22)6-13(10)15-8-25-16(9-24-15)26-17(27)12-4-5-23-7-14(12)19/h2-9H,1H3,(H,25,26,27).
What are the key properties of 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58683977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).