5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C21H22N4O3 — CID 109284888

IUPAC5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Nc3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-7-3-15(4-8-17)11-12-22-21(26)19-13-24-20(14-23-19)25-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyVDOUQVAUZWDAKP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.21
Rot. Bonds8

About 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide

5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284888) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284888
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Nc3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-7-3-15(4-8-17)11-12-22-21(26)19-13-24-20(14-23-19)25-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyVDOUQVAUZWDAKP-UHFFFAOYSA-N
XLogP3.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109284888) is 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1ccc(CCNC(=O)c2cnc(Nc3ccc(OC)cc3)cn2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is VDOUQVAUZWDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-7-3-15(4-8-17)11-12-22-21(26)19-13-24-20(14-23-19)25-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).