N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C19H14F3N3O2 — CID 52945969

IUPACN-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C19H14F3N3O2/c1-12-3-2-4-14(9-12)24-18(26)17-11-23-10-16(25-17)13-5-7-15(8-6-13)27-19(20,21)22/h2-11H,1H3,(H,24,26)
InChIKeyVSWFPIQYOVAVEO-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.60
Rot. Bonds4

About N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 52945969) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID52945969
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C19H14F3N3O2/c1-12-3-2-4-14(9-12)24-18(26)17-11-23-10-16(25-17)13-5-7-15(8-6-13)27-19(20,21)22/h2-11H,1H3,(H,24,26)
InChIKeyVSWFPIQYOVAVEO-UHFFFAOYSA-N
XLogP4.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenyl)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 52947201
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 52947194
methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 146347015
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 122284288
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
1-(3-methylphenyl)-3-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]urea
CID 118675039
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 52945969) is N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is VSWFPIQYOVAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-12-3-2-4-14(9-12)24-18(26)17-11-23-10-16(25-17)13-5-7-15(8-6-13)27-19(20,21)22/h2-11H,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52945969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).