6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride

C15H14ClN3O — CID 71938706

IUPAC6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
SMILESCl.Nc1ccc2c(C(=O)Nc3ccccc3)c[nH]c2c1
InChIInChI=1S/C15H13N3O.ClH/c16-10-6-7-12-13(9-17-14(12)8-10)15(19)18-11-4-2-1-3-5-11;/h1-9,17H,16H2,(H,18,19);1H
InChIKeyUKZMODYIVOXHMK-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.42
Rot. Bonds2

About 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride

6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride (PubChem CID 71938706) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
PubChem CID71938706
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
SMILESCl.Nc1ccc2c(C(=O)Nc3ccccc3)c[nH]c2c1
InChIInChI=1S/C15H13N3O.ClH/c16-10-6-7-12-13(9-17-14(12)8-10)15(19)18-11-4-2-1-3-5-11;/h1-9,17H,16H2,(H,18,19);1H
InChIKeyUKZMODYIVOXHMK-UHFFFAOYSA-N
XLogP3.42
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 61092128
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
CID 63562915
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
CID 116786077
6-amino-N-(2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 79041592

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride (CID 71938706) is 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride is Cl.Nc1ccc2c(C(=O)Nc3ccccc3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is UKZMODYIVOXHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.ClH/c16-10-6-7-12-13(9-17-14(12)8-10)15(19)18-11-4-2-1-3-5-11;/h1-9,17H,16H2,(H,18,19);1H.
What are the key properties of 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride?
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71938706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).