N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide

C19H17N5O — CID 119101650

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H17N5O/c25-19(16-6-7-17-15(12-16)8-9-20-17)23-18(13-24-21-10-11-22-24)14-4-2-1-3-5-14/h1-12,18,20H,13H2,(H,23,25)
InChIKeyJTXLNOQRFQEWMC-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.93
Rot. Bonds5

About N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide

N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide (PubChem CID 119101650) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
PubChem CID119101650
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H17N5O/c25-19(16-6-7-17-15(12-16)8-9-20-17)23-18(13-24-21-10-11-22-24)14-4-2-1-3-5-14/h1-12,18,20H,13H2,(H,23,25)
InChIKeyJTXLNOQRFQEWMC-UHFFFAOYSA-N
XLogP2.93
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852
N-[(2S)-1-amino-1-oxo-3-(N-pyrimidin-2-ylanilino)propan-2-yl]-1H-indole-5-carboxamide
CID 141369297
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide (CID 119101650) is N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide is O=C(NC(Cn1nccn1)c1ccccc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide?
The InChIKey is JTXLNOQRFQEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(16-6-7-17-15(12-16)8-9-20-17)23-18(13-24-21-10-11-22-24)14-4-2-1-3-5-14/h1-12,18,20H,13H2,(H,23,25).
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 119101650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).