1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide

C18H17N3O4 — CID 157307504

IUPAC1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide
SMILESCOc1cc2c(C(=O)Nc3ccccc3)nn(C(C)=O)c2cc1OC
InChIInChI=1S/C18H17N3O4/c1-11(22)21-14-10-16(25-3)15(24-2)9-13(14)17(20-21)18(23)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,23)
InChIKeyBCQQUCCZXKMDGT-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.97
Rot. Bonds4

About 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide

1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide (PubChem CID 157307504) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide
PubChem CID157307504
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide
SMILESCOc1cc2c(C(=O)Nc3ccccc3)nn(C(C)=O)c2cc1OC
InChIInChI=1S/C18H17N3O4/c1-11(22)21-14-10-16(25-3)15(24-2)9-13(14)17(20-21)18(23)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,23)
InChIKeyBCQQUCCZXKMDGT-UHFFFAOYSA-N
XLogP2.97
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
CID 56680164
1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
CID 56670017
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide (CID 157307504) is 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide is COc1cc2c(C(=O)Nc3ccccc3)nn(C(C)=O)c2cc1OC.
What is the InChIKey of 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide?
The InChIKey is BCQQUCCZXKMDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(22)21-14-10-16(25-3)15(24-2)9-13(14)17(20-21)18(23)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,23).
What are the key properties of 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide?
1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 157307504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).