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

C20H16N2O3 — CID 25093232

IUPACN-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)
InChIKeyWFRVZENQQASYRN-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.53
Rot. Bonds3

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

N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 25093232) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID25093232
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)
InChIKeyWFRVZENQQASYRN-UHFFFAOYSA-N
XLogP3.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 25093232) is N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(-c2ccncc2)cc1)C1COc2ccccc2O1.
What is the InChIKey of N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is WFRVZENQQASYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23).
What are the key properties of N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 25093232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).