N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide

C16H12N4O — CID 62907539

IUPACN-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H12N4O/c1-10-2-3-11(8-17)6-14(10)19-16(21)12-4-5-13-9-18-20-15(13)7-12/h2-7,9H,1H3,(H,18,20)(H,19,21)
InChIKeyXQXNYSXABDJVGD-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.00
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide

N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide (PubChem CID 62907539) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
PubChem CID62907539
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H12N4O/c1-10-2-3-11(8-17)6-14(10)19-16(21)12-4-5-13-9-18-20-15(13)7-12/h2-7,9H,1H3,(H,18,20)(H,19,21)
InChIKeyXQXNYSXABDJVGD-UHFFFAOYSA-N
XLogP3.00
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indazole-6-carboxamide
CID 62905439
N-(2-chloro-4-methylphenyl)-1H-indazole-6-carboxamide
CID 60715106
N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
N-(6-methyl-2-pyridinyl)-1H-indazole-6-carboxamide
CID 55023758
N-(2,4-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60715317
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide (CID 62907539) is N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide?
The InChIKey is XQXNYSXABDJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-2-3-11(8-17)6-14(10)19-16(21)12-4-5-13-9-18-20-15(13)7-12/h2-7,9H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide?
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 62907539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).