5-amino-N-phenyl-1H-indole-3-carboxamide

C15H13N3O — CID 63116510

IUPAC5-amino-N-phenyl-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C15H13N3O/c16-10-6-7-14-12(8-10)13(9-17-14)15(19)18-11-4-2-1-3-5-11/h1-9,17H,16H2,(H,18,19)
InChIKeyZAHBFNDYPUHDTI-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.00
Rot. Bonds2

About 5-amino-N-phenyl-1H-indole-3-carboxamide

5-amino-N-phenyl-1H-indole-3-carboxamide (PubChem CID 63116510) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-N-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-phenyl-1H-indole-3-carboxamide
PubChem CID63116510
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-amino-N-phenyl-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C15H13N3O/c16-10-6-7-14-12(8-10)13(9-17-14)15(19)18-11-4-2-1-3-5-11/h1-9,17H,16H2,(H,18,19)
InChIKeyZAHBFNDYPUHDTI-UHFFFAOYSA-N
XLogP3.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.00
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

6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
CID 63116419
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 107699365
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-phenyl-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-phenyl-1H-indole-3-carboxamide (CID 63116510) is 5-amino-N-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-phenyl-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)Nc3ccccc3)c2c1.
What is the InChIKey of 5-amino-N-phenyl-1H-indole-3-carboxamide?
The InChIKey is ZAHBFNDYPUHDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-6-7-14-12(8-10)13(9-17-14)15(19)18-11-4-2-1-3-5-11/h1-9,17H,16H2,(H,18,19).
What are the key properties of 5-amino-N-phenyl-1H-indole-3-carboxamide?
5-amino-N-phenyl-1H-indole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 63116510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).