N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide

C19H22N4O3 — CID 109113116

IUPACN-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C19H22N4O3/c24-19(21-13-4-2-1-3-5-13)15-7-9-18(23-22-15)20-14-6-8-16-17(12-14)26-11-10-25-16/h6-9,12-13H,1-5,10-11H2,(H,20,23)(H,21,24)
InChIKeyTUCPYHQTKQLIJZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.05
Rot. Bonds4

About N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide

N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide (PubChem CID 109113116) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
PubChem CID109113116
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C19H22N4O3/c24-19(21-13-4-2-1-3-5-13)15-7-9-18(23-22-15)20-14-6-8-16-17(12-14)26-11-10-25-16/h6-9,12-13H,1-5,10-11H2,(H,20,23)(H,21,24)
InChIKeyTUCPYHQTKQLIJZ-UHFFFAOYSA-N
XLogP3.05
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128286
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridazine-3-carboxylate
CID 167970549
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113465
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
CID 109175070

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide (CID 109113116) is N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide?
The InChIKey is TUCPYHQTKQLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-19(21-13-4-2-1-3-5-13)15-7-9-18(23-22-15)20-14-6-8-16-17(12-14)26-11-10-25-16/h6-9,12-13H,1-5,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide?
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).