N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide

C22H22N6O2 — CID 95353191

IUPACN-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide
SMILESO=C(CCNC(=O)c1c[nH]c2ccccc12)N[C@@H](Cn1cncn1)c1ccccc1
InChIInChI=1S/C22H22N6O2/c29-21(10-11-24-22(30)18-12-25-19-9-5-4-8-17(18)19)27-20(13-28-15-23-14-26-28)16-6-2-1-3-7-16/h1-9,12,14-15,20,25H,10-11,13H2,(H,24,30)(H,27,29)/t20-/m0/s1
InChIKeyRCZQVCAYXCCKLQ-FQEVSTJZSA-N
MW402.46 g/mol
LogP2.44
Rot. Bonds8

About N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide

N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide (PubChem CID 95353191) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide
PubChem CID95353191
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide
SMILESO=C(CCNC(=O)c1c[nH]c2ccccc12)N[C@@H](Cn1cncn1)c1ccccc1
InChIInChI=1S/C22H22N6O2/c29-21(10-11-24-22(30)18-12-25-19-9-5-4-8-17(18)19)27-20(13-28-15-23-14-26-28)16-6-2-1-3-7-16/h1-9,12,14-15,20,25H,10-11,13H2,(H,24,30)(H,27,29)/t20-/m0/s1
InChIKeyRCZQVCAYXCCKLQ-FQEVSTJZSA-N
XLogP2.44
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
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CID 99855935
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 167889266
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
3-acetamido-4-methyl-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514812
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514811
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide (CID 95353191) is N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide is O=C(CCNC(=O)c1c[nH]c2ccccc12)N[C@@H](Cn1cncn1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide?
The InChIKey is RCZQVCAYXCCKLQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-21(10-11-24-22(30)18-12-25-19-9-5-4-8-17(18)19)27-20(13-28-15-23-14-26-28)16-6-2-1-3-7-16/h1-9,12,14-15,20,25H,10-11,13H2,(H,24,30)(H,27,29)/t20-/m0/s1.
What are the key properties of N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide?
N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 95353191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).