N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide

C27H23FN4O2 — CID 3202136

IUPACN-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H23FN4O2/c1-2-19-8-14-23(15-9-19)32(27(34)24-18-29-16-17-30-24)25(20-6-4-3-5-7-20)26(33)31-22-12-10-21(28)11-13-22/h3-18,25H,2H2,1H3,(H,31,33)
InChIKeyAGVQMIIOGIMMTQ-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.20
Rot. Bonds7

About N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide

N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide (PubChem CID 3202136) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
PubChem CID3202136
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC NameN-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H23FN4O2/c1-2-19-8-14-23(15-9-19)32(27(34)24-18-29-16-17-30-24)25(20-6-4-3-5-7-20)26(33)31-22-12-10-21(28)11-13-22/h3-18,25H,2H2,1H3,(H,31,33)
InChIKeyAGVQMIIOGIMMTQ-UHFFFAOYSA-N
XLogP5.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3202137
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202071
N-(3-ethoxyphenyl)-N-[(1R)-1-(4-ethylphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435457
N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1435591
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
CID 3202116
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-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3202069
N-(3,5-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434723
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
N-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202033

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide (CID 3202136) is N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide is CCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide?
The InChIKey is AGVQMIIOGIMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c1-2-19-8-14-23(15-9-19)32(27(34)24-18-29-16-17-30-24)25(20-6-4-3-5-7-20)26(33)31-22-12-10-21(28)11-13-22/h3-18,25H,2H2,1H3,(H,31,33).
What are the key properties of N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide?
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).