6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide

C19H14F2N4O3 — CID 109130191

IUPAC6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C19H14F2N4O3/c20-13-3-1-11(9-14(13)21)22-18-6-4-15(24-25-18)19(26)23-12-2-5-16-17(10-12)28-8-7-27-16/h1-6,9-10H,7-8H2,(H,22,25)(H,23,26)
InChIKeyAQYNXCGKFJMLRD-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.52
Rot. Bonds4

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

6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide (PubChem CID 109130191) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
PubChem CID109130191
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C19H14F2N4O3/c20-13-3-1-11(9-14(13)21)22-18-6-4-15(24-25-18)19(26)23-12-2-5-16-17(10-12)28-8-7-27-16/h1-6,9-10H,7-8H2,(H,22,25)(H,23,26)
InChIKeyAQYNXCGKFJMLRD-UHFFFAOYSA-N
XLogP3.52
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(1,3-benzodioxol-5-yl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130169
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128286
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide (CID 109130191) is 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The InChIKey is AQYNXCGKFJMLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c20-13-3-1-11(9-14(13)21)22-18-6-4-15(24-25-18)19(26)23-12-2-5-16-17(10-12)28-8-7-27-16/h1-6,9-10H,7-8H2,(H,22,25)(H,23,26).
What are the key properties of 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109130191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).