3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide

C25H20N6O2 — CID 25034139

IUPAC3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccncc4C#N)no3)ccc21
InChIInChI=1S/C25H20N6O2/c1-2-31-21-6-4-3-5-19(21)20-13-17(7-8-22(20)31)28-23(32)9-10-24-29-25(30-33-24)18-11-12-27-15-16(18)14-26/h3-8,11-13,15H,2,9-10H2,1H3,(H,28,32)
InChIKeyXFIKTRAACXFYRM-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.70
Rot. Bonds6

About 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide

3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 25034139) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID25034139
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccncc4C#N)no3)ccc21
InChIInChI=1S/C25H20N6O2/c1-2-31-21-6-4-3-5-19(21)20-13-17(7-8-22(20)31)28-23(32)9-10-24-29-25(30-33-24)18-11-12-27-15-16(18)14-26/h3-8,11-13,15H,2,9-10H2,1H3,(H,28,32)
InChIKeyXFIKTRAACXFYRM-UHFFFAOYSA-N
XLogP4.70
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-(2-Cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25033938
3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
CID 25033876
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25033939
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25034138
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1,1-Dimethylpiperidin-1-ium-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810820
3-(1-Methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14810834
2-[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810844
N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810846
N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 14810794

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 25034139) is 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccncc4C#N)no3)ccc21.
What is the InChIKey of 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is XFIKTRAACXFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-2-31-21-6-4-3-5-19(21)20-13-17(7-8-22(20)31)28-23(32)9-10-24-29-25(30-33-24)18-11-12-27-15-16(18)14-26/h3-8,11-13,15H,2,9-10H2,1H3,(H,28,32).
What are the key properties of 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 436.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyano-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 25034139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).