4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide

C18H19N3O2 — CID 171820302

IUPAC4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
SMILESCOc1ccc(C)c(-c2cc(C(N)=O)cc3c2cnn3C)c1C
InChIInChI=1S/C18H19N3O2/c1-10-5-6-16(23-4)11(2)17(10)13-7-12(18(19)22)8-15-14(13)9-20-21(15)3/h5-9H,1-4H3,(H2,19,22)
InChIKeyROWFJJKKFNPAIU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds3

About 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide

4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide (PubChem CID 171820302) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
PubChem CID171820302
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
SMILESCOc1ccc(C)c(-c2cc(C(N)=O)cc3c2cnn3C)c1C
InChIInChI=1S/C18H19N3O2/c1-10-5-6-16(23-4)11(2)17(10)13-7-12(18(19)22)8-15-14(13)9-20-21(15)3/h5-9H,1-4H3,(H2,19,22)
InChIKeyROWFJJKKFNPAIU-UHFFFAOYSA-N
XLogP2.96
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide?
The IUPAC name of 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide (CID 171820302) is 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide.
What is the SMILES notation for 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide?
The canonical SMILES for 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide is COc1ccc(C)c(-c2cc(C(N)=O)cc3c2cnn3C)c1C.
What is the InChIKey of 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide?
The InChIKey is ROWFJJKKFNPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-10-5-6-16(23-4)11(2)17(10)13-7-12(18(19)22)8-15-14(13)9-20-21(15)3/h5-9H,1-4H3,(H2,19,22).
What are the key properties of 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide?
4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide is sourced from PubChem (CID 171820302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).