1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide

C23H25N3O5 — CID 55780551

About 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide (PubChem CID 55780551) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide.

Molecular Properties

• Compound Name: 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
• PubChem CID: 55780551
• Molecular Formula: C23H25N3O5
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
• SMILES: CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
• InChI: InChI=1S/C23H25N3O5/c1-14(2)31-21-16(5-3-9-24-21)12-25-20(27)15-7-8-18-19(11-15)23(29)26(22(18)28)13-17-6-4-10-30-17/h3,5,7-9,11,14,17H,4,6,10,12-13H2,1-2H3,(H,25,27)
• InChIKey: MFLCHJOLDINPAY-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?

The IUPAC name of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide (CID 55780551) is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide.

What is the SMILES notation for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?

The canonical SMILES for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide is CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.

What is the InChIKey of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?

The InChIKey is MFLCHJOLDINPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14(2)31-21-16(5-3-9-24-21)12-25-20(27)15-7-8-18-19(11-15)23(29)26(22(18)28)13-17-6-4-10-30-17/h3,5,7-9,11,14,17H,4,6,10,12-13H2,1-2H3,(H,25,27).

What are the key properties of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide is sourced from PubChem (CID 55780551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).