2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide

C16H16N4O — CID 110485992

IUPAC2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc3cnn(C)c3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-3-6-14(17)13(7-10)16(21)19-12-5-4-11-9-18-20(2)15(11)8-12/h3-9H,17H2,1-2H3,(H,19,21)
InChIKeyZJWRGWKJUUNHNC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.72
Rot. Bonds2

About 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide

2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide (PubChem CID 110485992) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
PubChem CID110485992
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc3cnn(C)c3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-3-6-14(17)13(7-10)16(21)19-12-5-4-11-9-18-20(2)15(11)8-12/h3-9H,17H2,1-2H3,(H,19,21)
InChIKeyZJWRGWKJUUNHNC-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide (CID 110485992) is 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide is Cc1ccc(N)c(C(=O)Nc2ccc3cnn(C)c3c2)c1.
What is the InChIKey of 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide?
The InChIKey is ZJWRGWKJUUNHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-6-14(17)13(7-10)16(21)19-12-5-4-11-9-18-20(2)15(11)8-12/h3-9H,17H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide?
2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide is sourced from PubChem (CID 110485992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).