5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide

C19H16F2N4O3 — CID 109293895

IUPAC5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(Nc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C19H16F2N4O3/c1-27-12-4-6-17(28-2)15(8-12)25-19(26)16-9-23-18(10-22-16)24-14-5-3-11(20)7-13(14)21/h3-10H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBPKYKVDITBSRAN-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.77
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide

5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293895) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293895
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(Nc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C19H16F2N4O3/c1-27-12-4-6-17(28-2)15(8-12)25-19(26)16-9-23-18(10-22-16)24-14-5-3-11(20)7-13(14)21/h3-10H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBPKYKVDITBSRAN-UHFFFAOYSA-N
XLogP3.77
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293907
4-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221968
N-(2,5-dimethoxyphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374016
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109292936
N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387
N-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide (CID 109293895) is 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(Nc3ccc(F)cc3F)cn2)c1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is BPKYKVDITBSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-27-12-4-6-17(28-2)15(8-12)25-19(26)16-9-23-18(10-22-16)24-14-5-3-11(20)7-13(14)21/h3-10H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).