N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide

C14H11BrN2O3 — CID 107518056

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ncccc1Br
InChIInChI=1S/C14H11BrN2O3/c15-10-2-1-5-16-13(10)14(18)17-7-9-3-4-11-12(6-9)20-8-19-11/h1-6H,7-8H2,(H,17,18)
InChIKeySLIXIVMTDJJLDN-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.50
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide (PubChem CID 107518056) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
PubChem CID107518056
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ncccc1Br
InChIInChI=1S/C14H11BrN2O3/c15-10-2-1-5-16-13(10)14(18)17-7-9-3-4-11-12(6-9)20-8-19-11/h1-6H,7-8H2,(H,17,18)
InChIKeySLIXIVMTDJJLDN-UHFFFAOYSA-N
XLogP2.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-sulfanylbenzamide
CID 107028820
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 53054931
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 44999738
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide (CID 107518056) is N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ncccc1Br.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide?
The InChIKey is SLIXIVMTDJJLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-2-1-5-16-13(10)14(18)17-7-9-3-4-11-12(6-9)20-8-19-11/h1-6H,7-8H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107518056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).