6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

C21H21N3O2 — CID 52944738

IUPAC6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)NCc3ccccc3C)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-3-26-18-10-8-16(9-11-18)19-13-22-14-20(24-19)21(25)23-12-17-7-5-4-6-15(17)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyONXXBNABQCHJHC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.78
Rot. Bonds6

About 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 52944738) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID52944738
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)NCc3ccccc3C)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-3-26-18-10-8-16(9-11-18)19-13-22-14-20(24-19)21(25)23-12-17-7-5-4-6-15(17)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyONXXBNABQCHJHC-UHFFFAOYSA-N
XLogP3.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 52944738) is 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is CCOc1ccc(-c2cncc(C(=O)NCc3ccccc3C)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ONXXBNABQCHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-26-18-10-8-16(9-11-18)19-13-22-14-20(24-19)21(25)23-12-17-7-5-4-6-15(17)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52944738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).