N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide

C26H21N3O5 — CID 46386955

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCOc1cccc(Oc2ccc(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)nn2)c1
InChIInChI=1S/C26H21N3O5/c1-31-20-3-2-4-21(14-20)34-25-12-10-22(28-29-25)18-6-8-19(9-7-18)26(30)27-15-17-5-11-23-24(13-17)33-16-32-23/h2-14H,15-16H2,1H3,(H,27,30)
InChIKeyLXOGJJLMBFMNBN-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.60
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide (PubChem CID 46386955) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
PubChem CID46386955
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCOc1cccc(Oc2ccc(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)nn2)c1
InChIInChI=1S/C26H21N3O5/c1-31-20-3-2-4-21(14-20)34-25-12-10-22(28-29-25)18-6-8-19(9-7-18)26(30)27-15-17-5-11-23-24(13-17)33-16-32-23/h2-14H,15-16H2,1H3,(H,27,30)
InChIKeyLXOGJJLMBFMNBN-UHFFFAOYSA-N
XLogP4.60
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021089
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 110348411
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
5-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22520135
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 50776966
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 9327338
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 3589166
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide (CID 46386955) is N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide is COc1cccc(Oc2ccc(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)nn2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
The InChIKey is LXOGJJLMBFMNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-31-20-3-2-4-21(14-20)34-25-12-10-22(28-29-25)18-6-8-19(9-7-18)26(30)27-15-17-5-11-23-24(13-17)33-16-32-23/h2-14H,15-16H2,1H3,(H,27,30).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide has a molecular weight of 455.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide is sourced from PubChem (CID 46386955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).