N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide

C17H17N3O — CID 110475629

IUPACN-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnn(C)c3c2)cc1C
InChIInChI=1S/C17H17N3O/c1-11-4-7-15(8-12(11)2)19-17(21)13-5-6-14-10-18-20(3)16(14)9-13/h4-10H,1-3H3,(H,19,21)
InChIKeyACJJIPIPVNFJNJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide

N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide (PubChem CID 110475629) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
PubChem CID110475629
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnn(C)c3c2)cc1C
InChIInChI=1S/C17H17N3O/c1-11-4-7-15(8-12(11)2)19-17(21)13-5-6-14-10-18-20(3)16(14)9-13/h4-10H,1-3H3,(H,19,21)
InChIKeyACJJIPIPVNFJNJ-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
CID 110475586
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 66965608
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
CID 110485992
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(3,4-dimethylphenyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 84578892
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide (CID 110475629) is N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide is Cc1ccc(NC(=O)c2ccc3cnn(C)c3c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide?
The InChIKey is ACJJIPIPVNFJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-4-7-15(8-12(11)2)19-17(21)13-5-6-14-10-18-20(3)16(14)9-13/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide?
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide is sourced from PubChem (CID 110475629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).