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

C26H21FN4O2 — CID 3202137

IUPACN-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H21FN4O2/c1-18-7-13-22(14-8-18)31(26(33)23-17-28-15-16-29-23)24(19-5-3-2-4-6-19)25(32)30-21-11-9-20(27)10-12-21/h2-17,24H,1H3,(H,30,32)
InChIKeyYKZNKLKVQLHJSO-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.95
Rot. Bonds6

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

N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 3202137) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID3202137
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H21FN4O2/c1-18-7-13-22(14-8-18)31(26(33)23-17-28-15-16-29-23)24(19-5-3-2-4-6-19)25(32)30-21-11-9-20(27)10-12-21/h2-17,24H,1H3,(H,30,32)
InChIKeyYKZNKLKVQLHJSO-UHFFFAOYSA-N
XLogP4.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,5-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434723
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-[(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-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202033
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202071
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202059

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 3202137) is N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is YKZNKLKVQLHJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-18-7-13-22(14-8-18)31(26(33)23-17-28-15-16-29-23)24(19-5-3-2-4-6-19)25(32)30-21-11-9-20(27)10-12-21/h2-17,24H,1H3,(H,30,32).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3202137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).