N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide

C18H13ClF2N4O — CID 109293155

IUPACN-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3c(F)cccc3F)cn2)cc1Cl
InChIInChI=1S/C18H13ClF2N4O/c1-10-5-6-11(7-12(10)19)24-18(26)15-8-23-16(9-22-15)25-17-13(20)3-2-4-14(17)21/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeySTUPGJASDKHTEI-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.71
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109293155) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109293155
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3c(F)cccc3F)cn2)cc1Cl
InChIInChI=1S/C18H13ClF2N4O/c1-10-5-6-11(7-12(10)19)24-18(26)15-8-23-16(9-22-15)25-17-13(20)3-2-4-14(17)21/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeySTUPGJASDKHTEI-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109293157
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide (CID 109293155) is N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3c(F)cccc3F)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is STUPGJASDKHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c1-10-5-6-11(7-12(10)19)24-18(26)15-8-23-16(9-22-15)25-17-13(20)3-2-4-14(17)21/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).