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

C16H17F3N4O — CID 109288225

IUPAC5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H17F3N4O/c1-2-3-4-7-20-13-9-21-12(8-22-13)16(24)23-11-6-5-10(17)14(18)15(11)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,22)(H,23,24)
InChIKeyGEDTUPPHPOLSCJ-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.75
Rot. Bonds7

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

5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 109288225) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID109288225
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H17F3N4O/c1-2-3-4-7-20-13-9-21-12(8-22-13)16(24)23-11-6-5-10(17)14(18)15(11)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,22)(H,23,24)
InChIKeyGEDTUPPHPOLSCJ-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109276018
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109279633
N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288177
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804

Frequently Asked Questions

What is the IUPAC name of 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (CID 109288225) is 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is GEDTUPPHPOLSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-2-3-4-7-20-13-9-21-12(8-22-13)16(24)23-11-6-5-10(17)14(18)15(11)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).