N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H14N2O3 — CID 2899772

IUPACN-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1COc2ccccc2O1
InChIInChI=1S/C15H14N2O3/c18-15(17-9-11-5-3-4-8-16-11)14-10-19-12-6-1-2-7-13(12)20-14/h1-8,14H,9-10H2,(H,17,18)
InChIKeyYOVSOFKGKFNGOL-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2899772) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2899772
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1COc2ccccc2O1
InChIInChI=1S/C15H14N2O3/c18-15(17-9-11-5-3-4-8-16-11)14-10-19-12-6-1-2-7-13(12)20-14/h1-8,14H,9-10H2,(H,17,18)
InChIKeyYOVSOFKGKFNGOL-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2899772) is N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCc1ccccn1)C1COc2ccccc2O1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is YOVSOFKGKFNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(17-9-11-5-3-4-8-16-11)14-10-19-12-6-1-2-7-13(12)20-14/h1-8,14H,9-10H2,(H,17,18).
What are the key properties of N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).