N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide

C23H21N3O4 — CID 46364384

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C23H21N3O4/c1-14-22-18(3-2-4-19(22)27)26(25-14)17-8-6-16(7-9-17)23(28)24-12-15-5-10-20-21(11-15)30-13-29-20/h5-11H,2-4,12-13H2,1H3,(H,24,28)
InChIKeyTZWWVGZRMFFGQO-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.36
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (PubChem CID 46364384) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
PubChem CID46364384
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C23H21N3O4/c1-14-22-18(3-2-4-19(22)27)26(25-14)17-8-6-16(7-9-17)23(28)24-12-15-5-10-20-21(11-15)30-13-29-20/h5-11H,2-4,12-13H2,1H3,(H,24,28)
InChIKeyTZWWVGZRMFFGQO-UHFFFAOYSA-N
XLogP3.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590207
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55486564
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323742
N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
CID 46364382
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
methyl 3-[1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 46612433
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42754928

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (CID 46364384) is N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is Cc1nn(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c2c1C(=O)CCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The InChIKey is TZWWVGZRMFFGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-22-18(3-2-4-19(22)27)26(25-14)17-8-6-16(7-9-17)23(28)24-12-15-5-10-20-21(11-15)30-13-29-20/h5-11H,2-4,12-13H2,1H3,(H,24,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is sourced from PubChem (CID 46364384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).