N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide

C16H15BrN2O4 — CID 4877065

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H15BrN2O4/c1-2-21-16-10(4-3-5-18-16)15(20)19-12-9-14-13(8-11(12)17)22-6-7-23-14/h3-5,8-9H,2,6-7H2,1H3,(H,19,20)
InChIKeyYSOGTTOOFSIUQC-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.27
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 4877065) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID4877065
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H15BrN2O4/c1-2-21-16-10(4-3-5-18-16)15(20)19-12-9-14-13(8-11(12)17)22-6-7-23-14/h3-5,8-9H,2,6-7H2,1H3,(H,19,20)
InChIKeyYSOGTTOOFSIUQC-UHFFFAOYSA-N
XLogP3.27
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 852868
N-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nicotinamide
CID 1236511
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
CID 2471206
2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 2815400
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 728102
N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 743159
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide
CID 2116583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxynicotinamide
CID 2813313
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypyridine-3-carboxamide
CID 8194854
N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide
CID 659924
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 675178
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497680

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide (CID 4877065) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is YSOGTTOOFSIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-2-21-16-10(4-3-5-18-16)15(20)19-12-9-14-13(8-11(12)17)22-6-7-23-14/h3-5,8-9H,2,6-7H2,1H3,(H,19,20).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 379.21 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 4877065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).