3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide

C24H22N4O3 — CID 167863210

IUPAC3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(-c3ccncc3)cc(-c3noc(=O)[nH]3)c2)cc1C
InChIInChI=1S/C24H22N4O3/c1-15-3-4-17(11-16(15)2)5-6-22(29)26-21-13-19(18-7-9-25-10-8-18)12-20(14-21)23-27-24(30)31-28-23/h3-4,7-14H,5-6H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyFVCUTHLMJQLDBS-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.28
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide

3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide (PubChem CID 167863210) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide
PubChem CID167863210
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(-c3ccncc3)cc(-c3noc(=O)[nH]3)c2)cc1C
InChIInChI=1S/C24H22N4O3/c1-15-3-4-17(11-16(15)2)5-6-22(29)26-21-13-19(18-7-9-25-10-8-18)12-20(14-21)23-27-24(30)31-28-23/h3-4,7-14H,5-6H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyFVCUTHLMJQLDBS-UHFFFAOYSA-N
XLogP4.28
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[3-[[2-Cyclopentyl-2-(4-pyridin-4-ylphenyl)acetyl]amino]-2-methylphenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide (CID 167863210) is 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide is Cc1ccc(CCC(=O)Nc2cc(-c3ccncc3)cc(-c3noc(=O)[nH]3)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide?
The InChIKey is FVCUTHLMJQLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-3-4-17(11-16(15)2)5-6-22(29)26-21-13-19(18-7-9-25-10-8-18)12-20(14-21)23-27-24(30)31-28-23/h3-4,7-14H,5-6H2,1-2H3,(H,26,29)(H,27,28,30).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide?
3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide has a molecular weight of 414.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide is sourced from PubChem (CID 167863210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).