(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide

C19H17N5O4 — CID 38962367

IUPAC(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc2ccccn12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H17N5O4/c25-17-9-12(18(26)20-19-22-21-16-3-1-2-6-23(16)19)11-24(17)13-4-5-14-15(10-13)28-8-7-27-14/h1-6,10,12H,7-9,11H2,(H,20,22,26)/t12-/m1/s1
InChIKeyBAFSKWSBGXTHEF-GFCCVEGCSA-N
MW379.38 g/mol
LogP1.49
Rot. Bonds3

About (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 38962367) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide
PubChem CID38962367
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc2ccccn12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H17N5O4/c25-17-9-12(18(26)20-19-22-21-16-3-1-2-6-23(16)19)11-24(17)13-4-5-14-15(10-13)28-8-7-27-14/h1-6,10,12H,7-9,11H2,(H,20,22,26)/t12-/m1/s1
InChIKeyBAFSKWSBGXTHEF-GFCCVEGCSA-N
XLogP1.49
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
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CID 119422136
(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
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 154765760
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CID 8004745
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655484
(3R)-N-(4-carbamoylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7926395
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 18077893
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42909279
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CID 18206709

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide (CID 38962367) is (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide is O=C(Nc1nnc2ccccn12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is BAFSKWSBGXTHEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N5O4/c25-17-9-12(18(26)20-19-22-21-16-3-1-2-6-23(16)19)11-24(17)13-4-5-14-15(10-13)28-8-7-27-14/h1-6,10,12H,7-9,11H2,(H,20,22,26)/t12-/m1/s1.
What are the key properties of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide?
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 38962367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).