1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C19H19N3O4 — CID 18107182

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C19H19N3O4/c1-12-3-2-4-17(20-12)21-19(24)13-9-18(23)22(11-13)14-5-6-15-16(10-14)26-8-7-25-15/h2-6,10,13H,7-9,11H2,1H3,(H,20,21,24)
InChIKeyBZTCWLKBVZZVHM-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18107182) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18107182
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C19H19N3O4/c1-12-3-2-4-17(20-12)21-19(24)13-9-18(23)22(11-13)14-5-6-15-16(10-14)26-8-7-25-15/h2-6,10,13H,7-9,11H2,1H3,(H,20,21,24)
InChIKeyBZTCWLKBVZZVHM-UHFFFAOYSA-N
XLogP2.15
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 18107182) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BZTCWLKBVZZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-3-2-4-17(20-12)21-19(24)13-9-18(23)22(11-13)14-5-6-15-16(10-14)26-8-7-25-15/h2-6,10,13H,7-9,11H2,1H3,(H,20,21,24).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18107182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).