2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide

C15H15N3O4 — CID 142987779

IUPAC2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide
SMILESNNC(=O)Cc1cccnc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15N3O4/c16-18-14(19)7-11-2-1-5-17-15(11)20-8-10-3-4-12-13(6-10)22-9-21-12/h1-6H,7-9,16H2,(H,18,19)
InChIKeyHGGZOWXCIVDYMZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.92
Rot. Bonds5

About 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide

2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide (PubChem CID 142987779) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide
PubChem CID142987779
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide
SMILESNNC(=O)Cc1cccnc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15N3O4/c16-18-14(19)7-11-2-1-5-17-15(11)20-8-10-3-4-12-13(6-10)22-9-21-12/h1-6H,7-9,16H2,(H,18,19)
InChIKeyHGGZOWXCIVDYMZ-UHFFFAOYSA-N
XLogP0.92
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
[6-(1,3-benzodioxol-5-ylmethoxy)-3,5-dichloro-2-pyridinyl]hydrazine
CID 102762731
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111845048
N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 17447267
bis(1,3-benzodioxol-5-ylmethyl) pyrimidine-4,6-dicarboxylate
CID 10113884
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
2-(1,3-benzodioxol-5-ylmethyl)-1-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 111844144
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide (CID 142987779) is 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide is NNC(=O)Cc1cccnc1OCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide?
The InChIKey is HGGZOWXCIVDYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c16-18-14(19)7-11-2-1-5-17-15(11)20-8-10-3-4-12-13(6-10)22-9-21-12/h1-6H,7-9,16H2,(H,18,19).
What are the key properties of 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide?
2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide has a molecular weight of 301.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]acetohydrazide is sourced from PubChem (CID 142987779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).