5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

C20H19ClN4O2 — CID 109291361

IUPAC5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2cccc(C)c2C)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12-5-4-6-15(13(12)2)25-20(26)17-10-23-19(11-22-17)24-16-9-14(21)7-8-18(16)27-3/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyMHUKLCRCOQNCCO-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109291361) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109291361
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2cccc(C)c2C)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12-5-4-6-15(13(12)2)25-20(26)17-10-23-19(11-22-17)24-16-9-14(21)7-8-18(16)27-3/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyMHUKLCRCOQNCCO-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291396
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109292936
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (CID 109291361) is 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is COc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2cccc(C)c2C)cn1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is MHUKLCRCOQNCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-5-4-6-15(13(12)2)25-20(26)17-10-23-19(11-22-17)24-16-9-14(21)7-8-18(16)27-3/h4-11H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 5 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-(2,3-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).