5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide

C19H17ClN4O2 — CID 109293161

IUPAC5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-3-4-14(9-16(12)20)23-18-11-21-17(10-22-18)19(25)24-13-5-7-15(26-2)8-6-13/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyWDFRWZMFGURKRC-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

About 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide

5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293161) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293161
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-3-4-14(9-16(12)20)23-18-11-21-17(10-22-18)19(25)24-13-5-7-15(26-2)8-6-13/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyWDFRWZMFGURKRC-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109293157
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 109293161) is 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)cn2)cc1.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is WDFRWZMFGURKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-3-4-14(9-16(12)20)23-18-11-21-17(10-22-18)19(25)24-13-5-7-15(26-2)8-6-13/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).