N-(2-acetylphenyl)-1H-indazole-6-carboxamide

C16H13N3O2 — CID 110485418

IUPACN-(2-acetylphenyl)-1H-indazole-6-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H13N3O2/c1-10(20)13-4-2-3-5-14(13)18-16(21)11-6-7-12-9-17-19-15(12)8-11/h2-9H,1H3,(H,17,19)(H,18,21)
InChIKeyZKSZQIFJRSMOGG-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.02
Rot. Bonds3

About N-(2-acetylphenyl)-1H-indazole-6-carboxamide

N-(2-acetylphenyl)-1H-indazole-6-carboxamide (PubChem CID 110485418) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-acetylphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-1H-indazole-6-carboxamide
PubChem CID110485418
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2-acetylphenyl)-1H-indazole-6-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H13N3O2/c1-10(20)13-4-2-3-5-14(13)18-16(21)11-6-7-12-9-17-19-15(12)8-11/h2-9H,1H3,(H,17,19)(H,18,21)
InChIKeyZKSZQIFJRSMOGG-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 12015819
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
N-(2-chloro-4-methylphenyl)-1H-indazole-6-carboxamide
CID 60715106
N-(3,5-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60714993
N-(2,4-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60715317
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539
N-(6-methyl-2-pyridinyl)-1H-indazole-6-carboxamide
CID 55023758
N-(6-oxo-1H-pyridazin-3-yl)-1H-indazole-6-carboxamide
CID 116787487
N-(4-bromo-2-fluorophenyl)-1H-indazole-6-carboxamide
CID 60716242
N-(5-bromo-2-chlorophenyl)-1H-indazole-6-carboxamide
CID 62909267
N-(2-bromo-4-fluorophenyl)-1H-indazole-6-carboxamide
CID 62919566

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-1H-indazole-6-carboxamide (CID 110485418) is N-(2-acetylphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-1H-indazole-6-carboxamide is CC(=O)c1ccccc1NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(2-acetylphenyl)-1H-indazole-6-carboxamide?
The InChIKey is ZKSZQIFJRSMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10(20)13-4-2-3-5-14(13)18-16(21)11-6-7-12-9-17-19-15(12)8-11/h2-9H,1H3,(H,17,19)(H,18,21).
What are the key properties of N-(2-acetylphenyl)-1H-indazole-6-carboxamide?
N-(2-acetylphenyl)-1H-indazole-6-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 110485418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).