5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide

C16H15N3O2 — CID 107699365

IUPAC5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)cc1O
InChIInChI=1S/C16H15N3O2/c1-9-2-4-11(7-15(9)20)19-16(21)13-8-18-14-5-3-10(17)6-12(13)14/h2-8,18,20H,17H2,1H3,(H,19,21)
InChIKeyGRGPKJOYGGXIIP-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.02
Rot. Bonds2

About 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide

5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 107699365) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
PubChem CID107699365
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)cc1O
InChIInChI=1S/C16H15N3O2/c1-9-2-4-11(7-15(9)20)19-16(21)13-8-18-14-5-3-10(17)6-12(13)14/h2-8,18,20H,17H2,1H3,(H,19,21)
InChIKeyGRGPKJOYGGXIIP-UHFFFAOYSA-N
XLogP3.02
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
4-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
CID 107699351
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide
CID 63116359
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
CID 63116419

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide (CID 107699365) is 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)cc1O.
What is the InChIKey of 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is GRGPKJOYGGXIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-2-4-11(7-15(9)20)19-16(21)13-8-18-14-5-3-10(17)6-12(13)14/h2-8,18,20H,17H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide?
5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 107699365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).