4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide

C20H17N5O4 — CID 110318736

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C20H17N5O4/c26-16(22-12-17-23-24-18(29-17)13-5-3-9-21-11-13)8-4-10-25-19(27)14-6-1-2-7-15(14)20(25)28/h1-3,5-7,9,11H,4,8,10,12H2,(H,22,26)
InChIKeyOEHCIJAKKXNQOA-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.82
Rot. Bonds7

About 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide (PubChem CID 110318736) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
PubChem CID110318736
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C20H17N5O4/c26-16(22-12-17-23-24-18(29-17)13-5-3-9-21-11-13)8-4-10-25-19(27)14-6-1-2-7-15(14)20(25)28/h1-3,5-7,9,11H,4,8,10,12H2,(H,22,26)
InChIKeyOEHCIJAKKXNQOA-UHFFFAOYSA-N
XLogP1.82
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
2-(4-methylphenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318717
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320126
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110408611
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110318991
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108748995
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 110660366

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide (CID 110318736) is 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nnc(-c2cccnc2)o1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The InChIKey is OEHCIJAKKXNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c26-16(22-12-17-23-24-18(29-17)13-5-3-9-21-11-13)8-4-10-25-19(27)14-6-1-2-7-15(14)20(25)28/h1-3,5-7,9,11H,4,8,10,12H2,(H,22,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide has a molecular weight of 391.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 110318736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).