3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide

C28H22N4O2 — CID 141281225

IUPAC3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(C3=c4ccccc4=NC3=O)c2)cc1
InChIInChI=1S/C28H22N4O2/c1-17-7-9-19(10-8-17)20-13-21(26-23-5-3-4-6-24(23)32-28(26)34)15-22(14-20)27(33)31-18(2)25-16-29-11-12-30-25/h3-16,18H,1-2H3,(H,31,33)
InChIKeyAKKNNEWDGXJIFG-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.30
Rot. Bonds5

About 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide

3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide (PubChem CID 141281225) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide
PubChem CID141281225
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(C3=c4ccccc4=NC3=O)c2)cc1
InChIInChI=1S/C28H22N4O2/c1-17-7-9-19(10-8-17)20-13-21(26-23-5-3-4-6-24(23)32-28(26)34)15-22(14-20)27(33)31-18(2)25-16-29-11-12-30-25/h3-16,18H,1-2H3,(H,31,33)
InChIKeyAKKNNEWDGXJIFG-UHFFFAOYSA-N
XLogP3.30
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide
CID 68779214
3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 91016091
3-(4-methylphenyl)-5-(8-oxo-7H-purin-9-yl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 59627747
3-(5-methyl-2-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(1R)-1-pyrazin-2-ylethyl]benzamide
CID 70809971
3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 141281204
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
3-azido-5-(azidomethyl)-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 167871877
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
CID 155961647
3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-methylsulfonylbenzamide
CID 67053786
2-(4-methylphenyl)-4-pyridin-4-yl-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 53200674
3-(4-methylphenyl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
CID 59539723
3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
CID 58449362

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide (CID 141281225) is 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(C3=c4ccccc4=NC3=O)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide?
The InChIKey is AKKNNEWDGXJIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-17-7-9-19(10-8-17)20-13-21(26-23-5-3-4-6-24(23)32-28(26)34)15-22(14-20)27(33)31-18(2)25-16-29-11-12-30-25/h3-16,18H,1-2H3,(H,31,33).
What are the key properties of 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide?
3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide has a molecular weight of 446.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide is sourced from PubChem (CID 141281225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).