5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

C21H21ClN4O2 — CID 109291850

IUPAC5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C21H21ClN4O2/c1-4-14-7-5-6-13(2)20(14)26-21(27)17-11-24-19(12-23-17)25-16-10-15(22)8-9-18(16)28-3/h5-12H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyUDXIJBSCADYSLM-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.01
Rot. Bonds6

About 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109291850) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
PubChem CID109291850
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C21H21ClN4O2/c1-4-14-7-5-6-13(2)20(14)26-21(27)17-11-24-19(12-23-17)25-16-10-15(22)8-9-18(16)28-3/h5-12H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyUDXIJBSCADYSLM-UHFFFAOYSA-N
XLogP5.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291518
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109293352

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (CID 109291850) is 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is UDXIJBSCADYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-4-14-7-5-6-13(2)20(14)26-21(27)17-11-24-19(12-23-17)25-16-10-15(22)8-9-18(16)28-3/h5-12H,4H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).