6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide

C20H17ClN4O3 — CID 109128870

IUPAC6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C20H17ClN4O3/c1-12-2-3-13(21)10-16(12)23-19-7-5-15(24-25-19)20(26)22-14-4-6-17-18(11-14)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,25)
InChIKeyOWLSZDRHJXGCIM-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.21
Rot. Bonds4

About 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide

6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide (PubChem CID 109128870) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
PubChem CID109128870
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C20H17ClN4O3/c1-12-2-3-13(21)10-16(12)23-19-7-5-15(24-25-19)20(26)22-14-4-6-17-18(11-14)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,25)
InChIKeyOWLSZDRHJXGCIM-UHFFFAOYSA-N
XLogP4.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128286
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
N-(1,3-benzodioxol-5-yl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130169
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
6-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129115
4-N-(5-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112865911
4-N-(5-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine-4,6-diamine
CID 112878098
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide (CID 109128870) is 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide is Cc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The InChIKey is OWLSZDRHJXGCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-12-2-3-13(21)10-16(12)23-19-7-5-15(24-25-19)20(26)22-14-4-6-17-18(11-14)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).