N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

C20H18F2N4O — CID 109291993

IUPACN-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1cnc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C20H18F2N4O/c1-12(2)14-5-3-4-6-16(14)25-19-11-23-18(10-24-19)20(27)26-17-8-7-13(21)9-15(17)22/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKeyWIFYGQHBHGUIGX-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.87
Rot. Bonds5

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

N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109291993) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109291993
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1cnc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C20H18F2N4O/c1-12(2)14-5-3-4-6-16(14)25-19-11-23-18(10-24-19)20(27)26-17-8-7-13(21)9-15(17)22/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKeyWIFYGQHBHGUIGX-UHFFFAOYSA-N
XLogP4.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291979
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
N-(2,4-difluorophenyl)-5-(4-ethylanilino)pyrazine-2-carboxamide
CID 109291695
5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294492
N-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109291993) is N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is CC(C)c1ccccc1Nc1cnc(C(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is WIFYGQHBHGUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-12(2)14-5-3-4-6-16(14)25-19-11-23-18(10-24-19)20(27)26-17-8-7-13(21)9-15(17)22/h3-12H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109291993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).