N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide

C26H28N4O3 — CID 6411222

IUPACN-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1)C1CCCCC1
InChIInChI=1S/C26H28N4O3/c1-30(21-8-3-2-4-9-21)26(31)19-6-5-7-20(16-19)27-25-13-11-22(28-29-25)18-10-12-23-24(17-18)33-15-14-32-23/h5-7,10-13,16-17,21H,2-4,8-9,14-15H2,1H3,(H,27,29)
InChIKeyALYAOXJHOKHNAP-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.06
Rot. Bonds5

About N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide

N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide (PubChem CID 6411222) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide
PubChem CID6411222
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1)C1CCCCC1
InChIInChI=1S/C26H28N4O3/c1-30(21-8-3-2-4-9-21)26(31)19-6-5-7-20(16-19)27-25-13-11-22(28-29-25)18-10-12-23-24(17-18)33-15-14-32-23/h5-7,10-13,16-17,21H,2-4,8-9,14-15H2,1H3,(H,27,29)
InChIKeyALYAOXJHOKHNAP-UHFFFAOYSA-N
XLogP5.06
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155534710
N-Cyclopropyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-benzamide
CID 646176
4-(4-methoxyphenyl)-N-[4-methoxy-3-(1-piperidinylcarbonyl)phenyl]-1-phthalazinamine
CID 6403605
4-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylamino]-benzoic acid ethyl ester
CID 6603105
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
2,3-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422451
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452
3,4-diethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 16800085
3,4-diethoxy-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
CID 75528469
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155512315
5-{[4-(4-ethoxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide
CID 6403593

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide (CID 6411222) is N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide is CN(C(=O)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide?
The InChIKey is ALYAOXJHOKHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-30(21-8-3-2-4-9-21)26(31)19-6-5-7-20(16-19)27-25-13-11-22(28-29-25)18-10-12-23-24(17-18)33-15-14-32-23/h5-7,10-13,16-17,21H,2-4,8-9,14-15H2,1H3,(H,27,29).
What are the key properties of N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide?
N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 6411222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).