4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide

C18H17N3O3 — CID 889544

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccnc1
InChIInChI=1S/C18H17N3O3/c22-16(20-12-13-5-3-9-19-11-13)8-4-10-21-17(23)14-6-1-2-7-15(14)18(21)24/h1-3,5-7,9,11H,4,8,10,12H2,(H,20,22)
InChIKeyGBEBTCLRCBUQQR-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.77
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 889544) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID889544
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccnc1
InChIInChI=1S/C18H17N3O3/c22-16(20-12-13-5-3-9-19-11-13)8-4-10-21-17(23)14-6-1-2-7-15(14)18(21)24/h1-3,5-7,9,11H,4,8,10,12H2,(H,20,22)
InChIKeyGBEBTCLRCBUQQR-UHFFFAOYSA-N
XLogP1.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 113202525
4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110318736
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
3-pyridin-3-ylpropyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 78772685
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(pyridin-3-ylmethyl)hexanamide
CID 99991887
N-[(3-acetamidophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46477960
2-[11-(1,3-dioxoisoindol-2-yl)undecanoylamino]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3351011
2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione
CID 134117824
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108542672
4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 20892895
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 53022880

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 889544) is 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccnc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is GBEBTCLRCBUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16(20-12-13-5-3-9-19-11-13)8-4-10-21-17(23)14-6-1-2-7-15(14)18(21)24/h1-3,5-7,9,11H,4,8,10,12H2,(H,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 323.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 889544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).