N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H14N2O3 — CID 2908518

IUPACN-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cccc(NC(=O)C2COc3ccccc3O2)n1
InChIInChI=1S/C15H14N2O3/c1-10-5-4-8-14(16-10)17-15(18)13-9-19-11-6-2-3-7-12(11)20-13/h2-8,13H,9H2,1H3,(H,16,17,18)
InChIKeyIJUZBFTYCOTAGJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2908518) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2908518
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cccc(NC(=O)C2COc3ccccc3O2)n1
InChIInChI=1S/C15H14N2O3/c1-10-5-4-8-14(16-10)17-15(18)13-9-19-11-6-2-3-7-12(11)20-13/h2-8,13H,9H2,1H3,(H,16,17,18)
InChIKeyIJUZBFTYCOTAGJ-UHFFFAOYSA-N
XLogP2.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2908518) is N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1cccc(NC(=O)C2COc3ccccc3O2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IJUZBFTYCOTAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-4-8-14(16-10)17-15(18)13-9-19-11-6-2-3-7-12(11)20-13/h2-8,13H,9H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2908518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).