N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide

C28H25FN4O3 — CID 3202071

IUPACN-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2cccc(OC)c2)cc1
InChIInChI=1S/C28H25FN4O3/c1-3-19-7-13-23(14-8-19)33(28(35)25-18-30-15-16-31-25)26(20-5-4-6-24(17-20)36-2)27(34)32-22-11-9-21(29)10-12-22/h4-18,26H,3H2,1-2H3,(H,32,34)
InChIKeyVICIIUFLYOZRTD-UHFFFAOYSA-N
MW484.53 g/mol
LogP5.21
Rot. Bonds8

About N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide

N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 3202071) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID3202071
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC NameN-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2cccc(OC)c2)cc1
InChIInChI=1S/C28H25FN4O3/c1-3-19-7-13-23(14-8-19)33(28(35)25-18-30-15-16-31-25)26(20-5-4-6-24(17-20)36-2)27(34)32-22-11-9-21(29)10-12-22/h4-18,26H,3H2,1-2H3,(H,32,34)
InChIKeyVICIIUFLYOZRTD-UHFFFAOYSA-N
XLogP5.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3202069
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202136
N-(3-ethoxyphenyl)-N-[(1R)-1-(4-ethylphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435457
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-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3202137
N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1435591
N-(3,5-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434723
N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434805
N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435515
methyl 3-[[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 4550731

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide (CID 3202071) is N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide is CCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is VICIIUFLYOZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-3-19-7-13-23(14-8-19)33(28(35)25-18-30-15-16-31-25)26(20-5-4-6-24(17-20)36-2)27(34)32-22-11-9-21(29)10-12-22/h4-18,26H,3H2,1-2H3,(H,32,34).
What are the key properties of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3202071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).