N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide

C14H12N2O4 — CID 110863204

IUPACN-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
SMILESO=C(COc1cccnc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O4/c17-14(8-18-11-2-1-5-15-7-11)16-10-3-4-12-13(6-10)20-9-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyNTLKMSSYIJUDSA-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.83
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide

N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide (PubChem CID 110863204) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
PubChem CID110863204
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
SMILESO=C(COc1cccnc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O4/c17-14(8-18-11-2-1-5-15-7-11)16-10-3-4-12-13(6-10)20-9-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyNTLKMSSYIJUDSA-UHFFFAOYSA-N
XLogP1.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110342039
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803943
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide (CID 110863204) is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide is O=C(COc1cccnc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide?
The InChIKey is NTLKMSSYIJUDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-14(8-18-11-2-1-5-15-7-11)16-10-3-4-12-13(6-10)20-9-19-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide has a molecular weight of 272.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 110863204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).