N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide

C22H22N4O4 — CID 3244455

IUPACN-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)c2cnccn2)cc1
InChIInChI=1S/C22H22N4O4/c1-26(22(28)19-14-23-12-13-24-19)20(15-4-8-17(29-2)9-5-15)21(27)25-16-6-10-18(30-3)11-7-16/h4-14,20H,1-3H3,(H,25,27)
InChIKeyJFXFGFPNLWUNGX-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide

N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 3244455) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
PubChem CID3244455
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)c2cnccn2)cc1
InChIInChI=1S/C22H22N4O4/c1-26(22(28)19-14-23-12-13-24-19)20(15-4-8-17(29-2)9-5-15)21(27)25-16-6-10-18(30-3)11-7-16/h4-14,20H,1-3H3,(H,25,27)
InChIKeyJFXFGFPNLWUNGX-UHFFFAOYSA-N
XLogP2.95
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (CID 3244455) is N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is JFXFGFPNLWUNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-26(22(28)19-14-23-12-13-24-19)20(15-4-8-17(29-2)9-5-15)21(27)25-16-6-10-18(30-3)11-7-16/h4-14,20H,1-3H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 3244455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).