N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide

C26H21FN4O2 — CID 1435591

IUPACN-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C26H21FN4O2/c1-18-6-5-9-22(16-18)31(26(33)23-17-28-14-15-29-23)24(19-7-3-2-4-8-19)25(32)30-21-12-10-20(27)11-13-21/h2-17,24H,1H3,(H,30,32)/t24-/m0/s1
InChIKeyJHIROMAIISBZJI-DEOSSOPVSA-N
MW440.48 g/mol
LogP4.95
Rot. Bonds6

About N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide

N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 1435591) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID1435591
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C26H21FN4O2/c1-18-6-5-9-22(16-18)31(26(33)23-17-28-14-15-29-23)24(19-7-3-2-4-8-19)25(32)30-21-12-10-20(27)11-13-21/h2-17,24H,1H3,(H,30,32)/t24-/m0/s1
InChIKeyJHIROMAIISBZJI-DEOSSOPVSA-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-[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-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202136
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
CID 3202116
N-(3-ethoxyphenyl)-N-[(1R)-1-(4-ethylphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435457
N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202039
N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3202069
N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434805
methyl 3-[[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 4550731
N-(3,5-dimethylphenyl)-N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1434605
N-(3,4-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434842
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-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 1435591) is N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide is Cc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is JHIROMAIISBZJI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-18-6-5-9-22(16-18)31(26(33)23-17-28-14-15-29-23)24(19-7-3-2-4-8-19)25(32)30-21-12-10-20(27)11-13-21/h2-17,24H,1H3,(H,30,32)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide?
N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-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-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1435591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).