N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

C17H19F3N4O — CID 109289002

IUPACN,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H19F3N4O/c1-3-7-24(8-4-2)17(25)13-9-22-14(10-21-13)23-12-6-5-11(18)15(19)16(12)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyXTZDWDDRHIGNFZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.90
Rot. Bonds7

About N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (PubChem CID 109289002) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
PubChem CID109289002
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H19F3N4O/c1-3-7-24(8-4-2)17(25)13-9-22-14(10-21-13)23-12-6-5-11(18)15(19)16(12)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyXTZDWDDRHIGNFZ-UHFFFAOYSA-N
XLogP3.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109277899
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
5-(2,4-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286836
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705
5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288923
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285830

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (CID 109289002) is N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cnc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The InChIKey is XTZDWDDRHIGNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-3-7-24(8-4-2)17(25)13-9-22-14(10-21-13)23-12-6-5-11(18)15(19)16(12)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,22,23).
What are the key properties of N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).