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

C16H16N2O4 — CID 2116583

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4/c1-2-20-16-12(4-3-7-17-16)15(19)18-11-5-6-13-14(10-11)22-9-8-21-13/h3-7,10H,2,8-9H2,1H3,(H,18,19)
InChIKeyVPTQQVRSSDLGQD-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.50
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 2116583) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID2116583
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4/c1-2-20-16-12(4-3-7-17-16)15(19)18-11-5-6-13-14(10-11)22-9-8-21-13/h3-7,10H,2,8-9H2,1H3,(H,18,19)
InChIKeyVPTQQVRSSDLGQD-UHFFFAOYSA-N
XLogP2.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.50
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-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide (CID 2116583) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is VPTQQVRSSDLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-20-16-12(4-3-7-17-16)15(19)18-11-5-6-13-14(10-11)22-9-8-21-13/h3-7,10H,2,8-9H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.50, 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-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2116583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).