N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide

C26H20F2N4O3 — CID 1434704

IUPACN-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2N4O3/c1-35-22-12-10-21(11-13-22)32(26(34)23-16-29-14-15-30-23)24(17-2-4-18(27)5-3-17)25(33)31-20-8-6-19(28)7-9-20/h2-16,24H,1H3,(H,31,33)/t24-/m0/s1
InChIKeyUXRMYBRRVKSSSF-DEOSSOPVSA-N
MW474.47 g/mol
LogP4.79
Rot. Bonds7

About N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide

N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 1434704) has the molecular formula C26H20F2N4O3 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID1434704
Molecular FormulaC26H20F2N4O3
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC NameN-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2N4O3/c1-35-22-12-10-21(11-13-22)32(26(34)23-16-29-14-15-30-23)24(17-2-4-18(27)5-3-17)25(33)31-20-8-6-19(28)7-9-20/h2-16,24H,1H3,(H,31,33)/t24-/m0/s1
InChIKeyUXRMYBRRVKSSSF-DEOSSOPVSA-N
XLogP4.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.79
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-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
CID 3202116
N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3202069
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-1-(3-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202071
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-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435515
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 3240157
N-(3-ethoxyphenyl)-N-[(1R)-1-(4-ethylphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435457
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 1434704) is N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is UXRMYBRRVKSSSF-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H20F2N4O3/c1-35-22-12-10-21(11-13-22)32(26(34)23-16-29-14-15-30-23)24(17-2-4-18(27)5-3-17)25(33)31-20-8-6-19(28)7-9-20/h2-16,24H,1H3,(H,31,33)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 474.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1434704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).