6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide

C17H17N3O — CID 61091496

IUPAC6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCc3ccccc3)c[nH]c2c1
InChIInChI=1S/C17H17N3O/c18-13-6-7-14-15(11-20-16(14)10-13)17(21)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,18H2,(H,19,21)
InChIKeyFSRROYZPEYTIDH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.72
Rot. Bonds4

About 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide

6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide (PubChem CID 61091496) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
PubChem CID61091496
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCc3ccccc3)c[nH]c2c1
InChIInChI=1S/C17H17N3O/c18-13-6-7-14-15(11-20-16(14)10-13)17(21)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,18H2,(H,19,21)
InChIKeyFSRROYZPEYTIDH-UHFFFAOYSA-N
XLogP2.72
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.72
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

1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
CID 106163847
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 61095134
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813773

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide (CID 61091496) is 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCCc3ccccc3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide?
The InChIKey is FSRROYZPEYTIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-13-6-7-14-15(11-20-16(14)10-13)17(21)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,18H2,(H,19,21).
What are the key properties of 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide?
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61091496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).