N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide

C26H21FN4O3 — CID 3202116

IUPACN-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccccc2)cc1
InChIInChI=1S/C26H21FN4O3/c1-34-22-13-7-18(8-14-22)24(25(32)30-20-11-9-19(27)10-12-20)31(21-5-3-2-4-6-21)26(33)23-17-28-15-16-29-23/h2-17,24H,1H3,(H,30,32)
InChIKeyPFACOOHWYCJICL-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.65
Rot. Bonds7

About N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide

N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 3202116) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
PubChem CID3202116
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC NameN-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccccc2)cc1
InChIInChI=1S/C26H21FN4O3/c1-34-22-13-7-18(8-14-22)24(25(32)30-20-11-9-19(27)10-12-20)31(21-5-3-2-4-6-21)26(33)23-17-28-15-16-29-23/h2-17,24H,1H3,(H,30,32)
InChIKeyPFACOOHWYCJICL-UHFFFAOYSA-N
XLogP4.65
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202136
N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1435591
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202071
N-(3,5-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434723
N-(3-ethoxyphenyl)-N-[(1R)-1-(4-ethylphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435457
N-benzyl-N-[1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202118
N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435515
N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 46263119

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide (CID 3202116) is N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide is COc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is PFACOOHWYCJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-34-22-13-7-18(8-14-22)24(25(32)30-20-11-9-19(27)10-12-20)31(21-5-3-2-4-6-21)26(33)23-17-28-15-16-29-23/h2-17,24H,1H3,(H,30,32).
What are the key properties of N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide?
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 3202116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).