5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

C21H22N4O2 — CID 109291800

IUPAC5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(c1ccccc1)c1cnc(C(=O)Nc2cc(C)ccc2OC)cn1
InChIInChI=1S/C21H22N4O2/c1-4-25(16-8-6-5-7-9-16)20-14-22-18(13-23-20)21(26)24-17-12-15(2)10-11-19(17)27-3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyJMPDNGVZXVMNBK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.20
Rot. Bonds6

About 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109291800) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
PubChem CID109291800
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(c1ccccc1)c1cnc(C(=O)Nc2cc(C)ccc2OC)cn1
InChIInChI=1S/C21H22N4O2/c1-4-25(16-8-6-5-7-9-16)20-14-22-18(13-23-20)21(26)24-17-12-15(2)10-11-19(17)27-3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyJMPDNGVZXVMNBK-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (CID 109291800) is 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is CCN(c1ccccc1)c1cnc(C(=O)Nc2cc(C)ccc2OC)cn1.
What is the InChIKey of 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is JMPDNGVZXVMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-25(16-8-6-5-7-9-16)20-14-22-18(13-23-20)21(26)24-17-12-15(2)10-11-19(17)27-3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).