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

C22H22N4O3 — CID 3240157

IUPACN-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)c2cnccn2)cc1
InChIInChI=1S/C22H22N4O3/c1-15-4-6-16(7-5-15)20(26(2)22(28)19-14-23-12-13-24-19)21(27)25-17-8-10-18(29-3)11-9-17/h4-14,20H,1-3H3,(H,25,27)
InChIKeyITQMUXLKFHALHH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.25
Rot. Bonds6

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

N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 3240157) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
PubChem CID3240157
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)c2cnccn2)cc1
InChIInChI=1S/C22H22N4O3/c1-15-4-6-16(7-5-15)20(26(2)22(28)19-14-23-12-13-24-19)21(27)25-17-8-10-18(29-3)11-9-17/h4-14,20H,1-3H3,(H,25,27)
InChIKeyITQMUXLKFHALHH-UHFFFAOYSA-N
XLogP3.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435515
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 3202114
N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 1434704
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
CID 3202116
N-[(1S)-1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435530
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3202069
N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3202137
N-(3,5-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434723
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 9494044
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (CID 3240157) is N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is ITQMUXLKFHALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-4-6-16(7-5-15)20(26(2)22(28)19-14-23-12-13-24-19)21(27)25-17-8-10-18(29-3)11-9-17/h4-14,20H,1-3H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.25, 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)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 3240157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).