N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide

C20H16N2O4 — CID 2813313

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-19(22-14-8-9-17-18(13-14)25-12-11-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,22,23)
InChIKeyRHXHQPNVXBHYHZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.90
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide (PubChem CID 2813313) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide
PubChem CID2813313
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-19(22-14-8-9-17-18(13-14)25-12-11-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,22,23)
InChIKeyRHXHQPNVXBHYHZ-UHFFFAOYSA-N
XLogP3.90
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide (CID 2813313) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide?
The InChIKey is RHXHQPNVXBHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(22-14-8-9-17-18(13-14)25-12-11-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 2813313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).