N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide

C19H16N4O4 — CID 109129169

IUPACN-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H16N4O4/c1-25-15-5-3-2-4-13(15)21-18-9-7-14(22-23-18)19(24)20-12-6-8-16-17(10-12)27-11-26-16/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyUISOWQLVQVOGRB-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.21
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109129169) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109129169
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H16N4O4/c1-25-15-5-3-2-4-13(15)21-18-9-7-14(22-23-18)19(24)20-12-6-8-16-17(10-12)27-11-26-16/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyUISOWQLVQVOGRB-UHFFFAOYSA-N
XLogP3.21
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129115
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
N-(1,3-benzodioxol-5-yl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130169
N-(1,3-benzodioxol-5-yl)-6-(4-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109129628
6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide (CID 109129169) is N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide is COc1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is UISOWQLVQVOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-25-15-5-3-2-4-13(15)21-18-9-7-14(22-23-18)19(24)20-12-6-8-16-17(10-12)27-11-26-16/h2-10H,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).