5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide

C15H13N3O2 — CID 63116812

IUPAC5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1
InChIInChI=1S/C15H13N3O2/c16-9-4-5-14-12(6-9)13(8-17-14)15(20)18-10-2-1-3-11(19)7-10/h1-8,17,19H,16H2,(H,18,20)
InChIKeyRNYQXOZZDRJHAF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds2

About 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide

5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide (PubChem CID 63116812) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
PubChem CID63116812
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1
InChIInChI=1S/C15H13N3O2/c16-9-4-5-14-12(6-9)13(8-17-14)15(20)18-10-2-1-3-11(19)7-10/h1-8,17,19H,16H2,(H,18,20)
InChIKeyRNYQXOZZDRJHAF-UHFFFAOYSA-N
XLogP2.71
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide (CID 63116812) is 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1.
What is the InChIKey of 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide?
The InChIKey is RNYQXOZZDRJHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-4-5-14-12(6-9)13(8-17-14)15(20)18-10-2-1-3-11(19)7-10/h1-8,17,19H,16H2,(H,18,20).
What are the key properties of 5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide?
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.71, 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-hydroxyphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).