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

C20H22N4O4 — CID 17489800

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1
InChIInChI=1S/C20H22N4O4/c1-23(2)18-6-3-14(11-21-18)22-20(26)13-9-19(25)24(12-13)15-4-5-16-17(10-15)28-8-7-27-16/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,22,26)
InChIKeyJBJDFURCRAFNNO-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.91
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17489800) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17489800
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1
InChIInChI=1S/C20H22N4O4/c1-23(2)18-6-3-14(11-21-18)22-20(26)13-9-19(25)24(12-13)15-4-5-16-17(10-15)28-8-7-27-16/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,22,26)
InChIKeyJBJDFURCRAFNNO-UHFFFAOYSA-N
XLogP1.91
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 42942337
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 46554253
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42909279
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 154765760
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26213308
(3R)-N-(4-carbamoylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7926395
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484644
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41156033
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18106758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 17489800) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBJDFURCRAFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-23(2)18-6-3-14(11-21-18)22-20(26)13-9-19(25)24(12-13)15-4-5-16-17(10-15)28-8-7-27-16/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,22,26).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17489800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).