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

C14H13F3N4O2 — CID 109276018

IUPAC5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCOCCNc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C14H13F3N4O2/c1-23-5-4-18-11-7-19-10(6-20-11)14(22)21-9-3-2-8(15)12(16)13(9)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,21,22)
InChIKeySRJMSHXYYDOMAG-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.20
Rot. Bonds6

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

5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 109276018) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID109276018
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCOCCNc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C14H13F3N4O2/c1-23-5-4-18-11-7-19-10(6-20-11)14(22)21-9-3-2-8(15)12(16)13(9)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,21,22)
InChIKeySRJMSHXYYDOMAG-UHFFFAOYSA-N
XLogP2.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288225
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
5-(2-methoxyethylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109275954
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109279633
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (CID 109276018) is 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is COCCNc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is SRJMSHXYYDOMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-23-5-4-18-11-7-19-10(6-20-11)14(22)21-9-3-2-8(15)12(16)13(9)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).