4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide

C18H17N3O3 — CID 51266037

IUPAC4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccn1)C2=O
InChIInChI=1S/C18H17N3O3/c1-12-7-8-13-14(11-12)18(24)21(17(13)23)10-4-6-16(22)20-15-5-2-3-9-19-15/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20,22)
InChIKeyXGGYOCZDFNMNDH-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.40
Rot. Bonds5

About 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide

4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide (PubChem CID 51266037) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
PubChem CID51266037
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccn1)C2=O
InChIInChI=1S/C18H17N3O3/c1-12-7-8-13-14(11-12)18(24)21(17(13)23)10-4-6-16(22)20-15-5-2-3-9-19-15/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20,22)
InChIKeyXGGYOCZDFNMNDH-UHFFFAOYSA-N
XLogP2.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
CID 55610959
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
N-[2-(dimethylamino)-2-phenylethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51265030

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide (CID 51266037) is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccn1)C2=O.
What is the InChIKey of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide?
The InChIKey is XGGYOCZDFNMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-8-13-14(11-12)18(24)21(17(13)23)10-4-6-16(22)20-15-5-2-3-9-19-15/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20,22).
What are the key properties of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide?
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide has a molecular weight of 323.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 51266037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).