N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C19H15N3O4 — CID 7593500

IUPACN-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)nn1
InChIInChI=1S/C19H15N3O4/c1-24-18-8-6-15(21-22-18)12-3-2-4-14(9-12)20-19(23)13-5-7-16-17(10-13)26-11-25-16/h2-10H,11H2,1H3,(H,20,23)
InChIKeyDIXYURJTOHFDGZ-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.13
Rot. Bonds4

About N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7593500) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7593500
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)nn1
InChIInChI=1S/C19H15N3O4/c1-24-18-8-6-15(21-22-18)12-3-2-4-14(9-12)20-19(23)13-5-7-16-17(10-13)26-11-25-16/h2-10H,11H2,1H3,(H,20,23)
InChIKeyDIXYURJTOHFDGZ-UHFFFAOYSA-N
XLogP3.13
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
N-(3-acetylphenyl)-1,3-benzodioxole-5-carboxamide
CID 2163239
N-{3-[N-(1,3-benzodioxol-5-ylcarbonyl)ethanehydrazonoyl]phenyl}-2,2-dimethylpropanamide
CID 5455229
2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1311013
N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 2208079
2-(3,4-dimethoxyphenyl)-N-{3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 2233014
N-{4-[N-(1,3-benzodioxol-5-ylcarbonyl)ethanehydrazonoyl]phenyl}-2,2,2-trifluoroacetamide
CID 5348230
5-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 5348377
N-(4-acetylphenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7206282
N-(3-acetylphenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7206324
N-[(E)-1-(3-Acetamidophenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9627300
N-{4-[N-(1,3-benzodioxol-5-ylcarbonyl)ethanehydrazonoyl]phenyl}-4-fluorobenzamide
CID 5430558

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 7593500) is N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)nn1.
What is the InChIKey of N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is DIXYURJTOHFDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-24-18-8-6-15(21-22-18)12-3-2-4-14(9-12)20-19(23)13-5-7-16-17(10-13)26-11-25-16/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxypyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7593500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).