N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C18H24N4O2 — CID 136563405

IUPACN-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCOc1ccccc1CCNC(=O)C1CCc2nc(C)nn2C1
InChIInChI=1S/C18H24N4O2/c1-3-24-16-7-5-4-6-14(16)10-11-19-18(23)15-8-9-17-20-13(2)21-22(17)12-15/h4-7,15H,3,8-12H2,1-2H3,(H,19,23)
InChIKeyFRMKQSODCNDGPQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 136563405) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID136563405
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCOc1ccccc1CCNC(=O)C1CCc2nc(C)nn2C1
InChIInChI=1S/C18H24N4O2/c1-3-24-16-7-5-4-6-14(16)10-11-19-18(23)15-8-9-17-20-13(2)21-22(17)12-15/h4-7,15H,3,8-12H2,1-2H3,(H,19,23)
InChIKeyFRMKQSODCNDGPQ-UHFFFAOYSA-N
XLogP1.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136565162
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
(3R,6S)-6-(dimethylamino)-N-[3-(2-ethoxyphenyl)propyl]-1-methylazepane-3-carboxamide
CID 165425374
9-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988860
1-[2-(2-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000455
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 138054424
1-[(2-ethoxy-4-methylphenyl)methyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124572180
3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74240152
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
(3R,6S)-6-(dimethylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylazepane-3-carboxamide
CID 165427863
N-[3-(2-ethoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648316

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 136563405) is N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCOc1ccccc1CCNC(=O)C1CCc2nc(C)nn2C1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is FRMKQSODCNDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-24-16-7-5-4-6-14(16)10-11-19-18(23)15-8-9-17-20-13(2)21-22(17)12-15/h4-7,15H,3,8-12H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 136563405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).