ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate

C16H21N5O4 — CID 154568339

IUPACethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(C(C)NC(=O)c2cc(C)ncc2OC)n[nH]1
InChIInChI=1S/C16H21N5O4/c1-5-25-14(22)7-13-19-15(21-20-13)10(3)18-16(23)11-6-9(2)17-8-12(11)24-4/h6,8,10H,5,7H2,1-4H3,(H,18,23)(H,19,20,21)
InChIKeyCTJFQMCXYFOTAL-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate

ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate (PubChem CID 154568339) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate
PubChem CID154568339
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Nameethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(C(C)NC(=O)c2cc(C)ncc2OC)n[nH]1
InChIInChI=1S/C16H21N5O4/c1-5-25-14(22)7-13-19-15(21-20-13)10(3)18-16(23)11-6-9(2)17-8-12(11)24-4/h6,8,10H,5,7H2,1-4H3,(H,18,23)(H,19,20,21)
InChIKeyCTJFQMCXYFOTAL-UHFFFAOYSA-N
XLogP1.11
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146037964
ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
CID 106660444
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
2-[3-[1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetic acid
CID 137341355
N-[1-(7-methoxyisoquinolin-1-yl)ethyl]-2,5-dimethylpyridine-4-carboxamide
CID 166283715
2-[3-[(1R)-1-[(1-phenylpyrazole-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetic acid
CID 126425392
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
2-[(2R,5S)-5-[[(5-methoxy-2-methylpyridine-4-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetic acid
CID 166616162
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
ethyl 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetate
CID 133105260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate (CID 154568339) is ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate is CCOC(=O)Cc1nc(C(C)NC(=O)c2cc(C)ncc2OC)n[nH]1.
What is the InChIKey of ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate?
The InChIKey is CTJFQMCXYFOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-5-25-14(22)7-13-19-15(21-20-13)10(3)18-16(23)11-6-9(2)17-8-12(11)24-4/h6,8,10H,5,7H2,1-4H3,(H,18,23)(H,19,20,21).
What are the key properties of ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate?
ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate has a molecular weight of 347.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[1-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetate is sourced from PubChem (CID 154568339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).