N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide

C20H19FN4O — CID 109292042

IUPACN-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(Nc2cnc(C(=O)Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C20H19FN4O/c1-13(2)14-7-9-15(10-8-14)24-19-12-22-18(11-23-19)20(26)25-17-6-4-3-5-16(17)21/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyMWHWHPLUAFDSJM-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.74
Rot. Bonds5

About N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide

N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109292042) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109292042
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(Nc2cnc(C(=O)Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C20H19FN4O/c1-13(2)14-7-9-15(10-8-14)24-19-12-22-18(11-23-19)20(26)25-17-6-4-3-5-16(17)21/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyMWHWHPLUAFDSJM-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
methyl 2-[[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109292025
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291932
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284363
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109272832
5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109292042) is N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide is CC(C)c1ccc(Nc2cnc(C(=O)Nc3ccccc3F)cn2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is MWHWHPLUAFDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13(2)14-7-9-15(10-8-14)24-19-12-22-18(11-23-19)20(26)25-17-6-4-3-5-16(17)21/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).