N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide

C16H15N3O3 — CID 6467207

IUPACN-(1H-indazol-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-6-3-10(8-15(14)22-2)16(20)18-12-4-5-13-11(7-12)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyIBFVLGBJWGJYAU-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.83
Rot. Bonds4

About N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide

N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide (PubChem CID 6467207) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3,4-dimethoxybenzamide
PubChem CID6467207
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(1H-indazol-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-6-3-10(8-15(14)22-2)16(20)18-12-4-5-13-11(7-12)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyIBFVLGBJWGJYAU-UHFFFAOYSA-N
XLogP2.83
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide (CID 6467207) is N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC.
What is the InChIKey of N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide?
The InChIKey is IBFVLGBJWGJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-14-6-3-10(8-15(14)22-2)16(20)18-12-4-5-13-11(7-12)9-17-19-13/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide?
N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide has a molecular weight of 297.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 6467207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).