1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide

C16H19N5O3 — CID 146102064

IUPAC1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2n[nH]c(COC)n2)c2ccccc21
InChIInChI=1S/C16H19N5O3/c1-23-8-7-21-9-12(11-5-3-4-6-13(11)21)15(22)18-16-17-14(10-24-2)19-20-16/h3-6,9H,7-8,10H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyLDDNROOHERRNIF-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.80
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide

1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide (PubChem CID 146102064) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
PubChem CID146102064
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2n[nH]c(COC)n2)c2ccccc21
InChIInChI=1S/C16H19N5O3/c1-23-8-7-21-9-12(11-5-3-4-6-13(11)21)15(22)18-16-17-14(10-24-2)19-20-16/h3-6,9H,7-8,10H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyLDDNROOHERRNIF-UHFFFAOYSA-N
XLogP1.80
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345
1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide
CID 51125764
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1-(3-cyanopropyl)-N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
CID 146091788
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
CID 119032779
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 71703519

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide (CID 146102064) is 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide is COCCn1cc(C(=O)Nc2n[nH]c(COC)n2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide?
The InChIKey is LDDNROOHERRNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-23-8-7-21-9-12(11-5-3-4-6-13(11)21)15(22)18-16-17-14(10-24-2)19-20-16/h3-6,9H,7-8,10H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide?
1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide is sourced from PubChem (CID 146102064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).