N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide

C21H20N4O3 — CID 3240701

IUPACN-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1
InChIInChI=1S/C21H20N4O3/c1-25(21(27)18-14-22-12-13-23-18)19(15-6-4-3-5-7-15)20(26)24-16-8-10-17(28-2)11-9-16/h3-14,19H,1-2H3,(H,24,26)
InChIKeySKSKZTQIULBZRU-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide

N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 3240701) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide
PubChem CID3240701
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1
InChIInChI=1S/C21H20N4O3/c1-25(21(27)18-14-22-12-13-23-18)19(15-6-4-3-5-7-15)20(26)24-16-8-10-17(28-2)11-9-16/h3-14,19H,1-2H3,(H,24,26)
InChIKeySKSKZTQIULBZRU-UHFFFAOYSA-N
XLogP2.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide (CID 3240701) is N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide is COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is SKSKZTQIULBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-25(21(27)18-14-22-12-13-23-18)19(15-6-4-3-5-7-15)20(26)24-16-8-10-17(28-2)11-9-16/h3-14,19H,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide?
N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 3240701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).