N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C18H17N3O3 — CID 110770216

IUPACN-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc2c(cc1CC(=O)Nc1ccc3cn[nH]c3c1)OCCO2
InChIInChI=1S/C18H17N3O3/c1-11-6-16-17(24-5-4-23-16)7-13(11)8-18(22)20-14-3-2-12-10-19-21-15(12)9-14/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyKIJJWQXMOOQREW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.82
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 110770216) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID110770216
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc2c(cc1CC(=O)Nc1ccc3cn[nH]c3c1)OCCO2
InChIInChI=1S/C18H17N3O3/c1-11-6-16-17(24-5-4-23-16)7-13(11)8-18(22)20-14-3-2-12-10-19-21-15(12)9-14/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyKIJJWQXMOOQREW-UHFFFAOYSA-N
XLogP2.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
N-(1H-indazol-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768017
N-(4-fluorophenyl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770195
2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide
CID 110771181
2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide
CID 110769468
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 110754943
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686639
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110770980

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 110770216) is N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1cc2c(cc1CC(=O)Nc1ccc3cn[nH]c3c1)OCCO2.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is KIJJWQXMOOQREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-6-16-17(24-5-4-23-16)7-13(11)8-18(22)20-14-3-2-12-10-19-21-15(12)9-14/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 110770216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).