2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide

C15H14N2O3 — CID 969642

IUPAC2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
SMILESO=C(C[C@@H]1COc2ccccc2O1)Nc1ccccn1
InChIInChI=1S/C15H14N2O3/c18-15(17-14-7-3-4-8-16-14)9-11-10-19-12-5-1-2-6-13(12)20-11/h1-8,11H,9-10H2,(H,16,17,18)/t11-/m1/s1
InChIKeyDEPRRHGGRXMJQX-LLVKDONJSA-N
MW270.29 g/mol
LogP2.25
Rot. Bonds3

About 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide

2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide (PubChem CID 969642) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
PubChem CID969642
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
SMILESO=C(C[C@@H]1COc2ccccc2O1)Nc1ccccn1
InChIInChI=1S/C15H14N2O3/c18-15(17-14-7-3-4-8-16-14)9-11-10-19-12-5-1-2-6-13(12)20-11/h1-8,11H,9-10H2,(H,16,17,18)/t11-/m1/s1
InChIKeyDEPRRHGGRXMJQX-LLVKDONJSA-N
XLogP2.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-pyridin-2-yloxamide
CID 7097724
N-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide
CID 845205
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
CID 7304761
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(2-methylpropyl)acetamide
CID 29140761
ethyl 4-[[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]acetyl]amino]benzoate
CID 975255
(2S)-2-cyano-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3-oxo-N-pyridin-2-ylpropanamide
CID 98506860
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] pyridine-2-carboxylate
CID 18171369
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide
CID 7392836
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2196918

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide (CID 969642) is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide is O=C(C[C@@H]1COc2ccccc2O1)Nc1ccccn1.
What is the InChIKey of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide?
The InChIKey is DEPRRHGGRXMJQX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(17-14-7-3-4-8-16-14)9-11-10-19-12-5-1-2-6-13(12)20-11/h1-8,11H,9-10H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide?
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide has a molecular weight of 270.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 969642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).