N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C23H22N6O4 — CID 24590720

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24590720) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 24590720
• Molecular Formula: C23H22N6O4
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.17
• IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
• InChI: InChI=1S/C23H22N6O4/c30-21-11-15(13-28(21)18-6-7-19-20(12-18)33-9-8-32-19)23(31)24-16-3-1-2-14(10-16)22-25-26-27-29(22)17-4-5-17/h1-3,6-7,10,12,15,17H,4-5,8-9,11,13H2,(H,24,31)
• InChIKey: VWHGUZVFMOPVJV-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 24590720) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.

What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is VWHGUZVFMOPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c30-21-11-15(13-28(21)18-6-7-19-20(12-18)33-9-8-32-19)23(31)24-16-3-1-2-14(10-16)22-25-26-27-29(22)17-4-5-17/h1-3,6-7,10,12,15,17H,4-5,8-9,11,13H2,(H,24,31).

What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24590720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).