2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide

C22H23N5O2 — CID 23608154

IUPAC2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide
SMILESCCc1ccc(-n2nc(CO)c(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-2-15-7-9-17(10-8-15)27-25-20(14-28)21(26-27)22(29)23-12-11-16-13-24-19-6-4-3-5-18(16)19/h3-10,13,24,28H,2,11-12,14H2,1H3,(H,23,29)
InChIKeyLIQFVBKADTUULE-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide

2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 23608154) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID23608154
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide
SMILESCCc1ccc(-n2nc(CO)c(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-2-15-7-9-17(10-8-15)27-25-20(14-28)21(26-27)22(29)23-12-11-16-13-24-19-6-4-3-5-18(16)19/h3-10,13,24,28H,2,11-12,14H2,1H3,(H,23,29)
InChIKeyLIQFVBKADTUULE-UHFFFAOYSA-N
XLogP2.78
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
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1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
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5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
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N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide (CID 23608154) is 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide is CCc1ccc(-n2nc(CO)c(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is LIQFVBKADTUULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-15-7-9-17(10-8-15)27-25-20(14-28)21(26-27)22(29)23-12-11-16-13-24-19-6-4-3-5-18(16)19/h3-10,13,24,28H,2,11-12,14H2,1H3,(H,23,29).
What are the key properties of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide?
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 23608154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).