N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide

C17H10Cl2F2N4O — CID 109294623

IUPACN-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-9-3-1-6-12(15(9)19)24-17(26)13-7-23-14(8-22-13)25-16-10(20)4-2-5-11(16)21/h1-8H,(H,23,25)(H,24,26)
InChIKeySHMVXQNZUWNEPM-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

About N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide

N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109294623) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109294623
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C17H10Cl2F2N4O/c18-9-3-1-6-12(15(9)19)24-17(26)13-7-23-14(8-22-13)25-16-10(20)4-2-5-11(16)21/h1-8H,(H,23,25)(H,24,26)
InChIKeySHMVXQNZUWNEPM-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
CID 109270657
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271537
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide (CID 109294623) is N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is SHMVXQNZUWNEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-9-3-1-6-12(15(9)19)24-17(26)13-7-23-14(8-22-13)25-16-10(20)4-2-5-11(16)21/h1-8H,(H,23,25)(H,24,26).
What are the key properties of N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide has a molecular weight of 395.20 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).