4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide

C18H17N3O3 — CID 649072

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide
SMILESCc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17N3O3/c1-12-6-4-10-19-16(12)20-15(22)9-5-11-21-17(23)13-7-2-3-8-14(13)18(21)24/h2-4,6-8,10H,5,9,11H2,1H3,(H,19,20,22)
InChIKeyASIWOMCSFTZCTR-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.40
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide (PubChem CID 649072) 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-(3-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide
PubChem CID649072
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide
SMILESCc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17N3O3/c1-12-6-4-10-19-16(12)20-15(22)9-5-11-21-17(23)13-7-2-3-8-14(13)18(21)24/h2-4,6-8,10H,5,9,11H2,1H3,(H,19,20,22)
InChIKeyASIWOMCSFTZCTR-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide (CID 649072) is 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide is Cc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide?
The InChIKey is ASIWOMCSFTZCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-6-4-10-19-16(12)20-15(22)9-5-11-21-17(23)13-7-2-3-8-14(13)18(21)24/h2-4,6-8,10H,5,9,11H2,1H3,(H,19,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide 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-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 649072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).