3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide

C16H16N2O3 — CID 2970117

IUPAC3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCC1COc2ccccc2O1)Nc1cccnc1
InChIInChI=1S/C16H16N2O3/c19-16(18-12-4-3-9-17-10-12)8-7-13-11-20-14-5-1-2-6-15(14)21-13/h1-6,9-10,13H,7-8,11H2,(H,18,19)
InChIKeyOQKOGNXNRFFOLT-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.64
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide (PubChem CID 2970117) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide
PubChem CID2970117
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCC1COc2ccccc2O1)Nc1cccnc1
InChIInChI=1S/C16H16N2O3/c19-16(18-12-4-3-9-17-10-12)8-7-13-11-20-14-5-1-2-6-15(14)21-13/h1-6,9-10,13H,7-8,11H2,(H,18,19)
InChIKeyOQKOGNXNRFFOLT-UHFFFAOYSA-N
XLogP2.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide (CID 2970117) is 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide is O=C(CCC1COc2ccccc2O1)Nc1cccnc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is OQKOGNXNRFFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(18-12-4-3-9-17-10-12)8-7-13-11-20-14-5-1-2-6-15(14)21-13/h1-6,9-10,13H,7-8,11H2,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide?
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 284.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 2970117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).