N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide

C15H17N5O2 — CID 126855596

IUPACN-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCCn1cncn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O2/c21-15(14-9-12-3-1-2-4-13(12)19-14)17-5-7-22-8-6-20-11-16-10-18-20/h1-4,9-11,19H,5-8H2,(H,17,21)
InChIKeyYRODYFLOQJRSCO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.21
Rot. Bonds7

About N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide

N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide (PubChem CID 126855596) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide
PubChem CID126855596
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCCn1cncn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O2/c21-15(14-9-12-3-1-2-4-13(12)19-14)17-5-7-22-8-6-20-11-16-10-18-20/h1-4,9-11,19H,5-8H2,(H,17,21)
InChIKeyYRODYFLOQJRSCO-UHFFFAOYSA-N
XLogP1.21
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
CID 90515664
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide (CID 126855596) is N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide is O=C(NCCOCCn1cncn1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide?
The InChIKey is YRODYFLOQJRSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-15(14-9-12-3-1-2-4-13(12)19-14)17-5-7-22-8-6-20-11-16-10-18-20/h1-4,9-11,19H,5-8H2,(H,17,21).
What are the key properties of N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide?
N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126855596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).