5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide

C20H19ClN4O3 — CID 109293339

IUPAC5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C20H19ClN4O3/c1-3-28-18-7-5-4-6-14(18)25-20(26)16-11-23-19(12-22-16)24-15-10-13(21)8-9-17(15)27-2/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyKMLPYWIWKWMEFF-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.53
Rot. Bonds7

About 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide

5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293339) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293339
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C20H19ClN4O3/c1-3-28-18-7-5-4-6-14(18)25-20(26)16-11-23-19(12-22-16)24-15-10-13(21)8-9-17(15)27-2/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyKMLPYWIWKWMEFF-UHFFFAOYSA-N
XLogP4.53
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109199964
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide (CID 109293339) is 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccccc1NC(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is KMLPYWIWKWMEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-3-28-18-7-5-4-6-14(18)25-20(26)16-11-23-19(12-22-16)24-15-10-13(21)8-9-17(15)27-2/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).