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

C16H13N3O3 — CID 719205

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccncc1
InChIInChI=1S/C16H13N3O3/c20-14(18-11-5-8-17-9-6-11)7-10-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-6,8-9H,7,10H2,(H,17,18,20)
InChIKeyLDPPNHVAZVISIP-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.71
Rot. Bonds4

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

3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide (PubChem CID 719205) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide
PubChem CID719205
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccncc1
InChIInChI=1S/C16H13N3O3/c20-14(18-11-5-8-17-9-6-11)7-10-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-6,8-9H,7,10H2,(H,17,18,20)
InChIKeyLDPPNHVAZVISIP-UHFFFAOYSA-N
XLogP1.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.71
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 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide (CID 719205) is 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccncc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide?
The InChIKey is LDPPNHVAZVISIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14(18-11-5-8-17-9-6-11)7-10-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-6,8-9H,7,10H2,(H,17,18,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide has a molecular weight of 295.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 719205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).