5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

C19H15F3N4O2 — CID 109293826

IUPAC5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C19H15F3N4O2/c1-10-3-6-15(28-2)13(7-10)25-16-9-23-14(8-24-16)19(27)26-12-5-4-11(20)17(21)18(12)22/h3-9H,1-2H3,(H,24,25)(H,26,27)
InChIKeySREZGWFBWDRVKU-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.21
Rot. Bonds5

About 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 109293826) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID109293826
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C19H15F3N4O2/c1-10-3-6-15(28-2)13(7-10)25-16-9-23-14(8-24-16)19(27)26-12-5-4-11(20)17(21)18(12)22/h3-9H,1-2H3,(H,24,25)(H,26,27)
InChIKeySREZGWFBWDRVKU-UHFFFAOYSA-N
XLogP4.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292117
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (CID 109293826) is 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is COc1ccc(C)cc1Nc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is SREZGWFBWDRVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-10-3-6-15(28-2)13(7-10)25-16-9-23-14(8-24-16)19(27)26-12-5-4-11(20)17(21)18(12)22/h3-9H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).