5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

C14H11BrN2O3 — CID 728102

IUPAC5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-10-5-9(7-16-8-10)14(18)17-11-1-2-12-13(6-11)20-4-3-19-12/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyNWOXVSRZYCDAOL-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.87
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (PubChem CID 728102) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
PubChem CID728102
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-10-5-9(7-16-8-10)14(18)17-11-1-2-12-13(6-11)20-4-3-19-12/h1-2,5-8H,3-4H2,(H,17,18)
InChIKeyNWOXVSRZYCDAOL-UHFFFAOYSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)nicotinamide
CID 668900
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
N-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-3-pyridinecarboxamide
CID 4132561
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethoxypyridine-3-carboxamide
CID 4877065
N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
CID 715260
3-(6-tert-butylpyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 10215323
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(6-(trifluoromethyl)pyridin-3-yl)acrylamide
CID 11439510
2-(pyridin-4-ylmethylamino)-N-(2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzamide
CID 44442419
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 719330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (CID 728102) is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The InChIKey is NWOXVSRZYCDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-5-9(7-16-8-10)14(18)17-11-1-2-12-13(6-11)20-4-3-19-12/h1-2,5-8H,3-4H2,(H,17,18).
What are the key properties of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 728102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).