N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C20H24N4O5 — CID 55861984

IUPACN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCn2nc3ccccn3c2=O)cc(OC)c1OC
InChIInChI=1S/C20H24N4O5/c1-27-15-11-14(12-16(28-2)19(15)29-3)13-18(25)21-8-6-10-24-20(26)23-9-5-4-7-17(23)22-24/h4-5,7,9,11-12H,6,8,10,13H2,1-3H3,(H,21,25)
InChIKeyAERCQHQDUVCDKA-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.27
Rot. Bonds9

About N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 55861984) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID55861984
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCn2nc3ccccn3c2=O)cc(OC)c1OC
InChIInChI=1S/C20H24N4O5/c1-27-15-11-14(12-16(28-2)19(15)29-3)13-18(25)21-8-6-10-24-20(26)23-9-5-4-7-17(23)22-24/h4-5,7,9,11-12H,6,8,10,13H2,1-3H3,(H,21,25)
InChIKeyAERCQHQDUVCDKA-UHFFFAOYSA-N
XLogP1.27
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 60565783
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
CID 60524723
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78849558
2-(2-methylphenyl)sulfanyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 55865445
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 95327050
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]prop-2-enamide
CID 51124333
N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 71876746
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 51134974
3-methyl-4-nitro-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55864810
1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
CID 47076648

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 55861984) is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCCCn2nc3ccccn3c2=O)cc(OC)c1OC.
What is the InChIKey of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is AERCQHQDUVCDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-27-15-11-14(12-16(28-2)19(15)29-3)13-18(25)21-8-6-10-24-20(26)23-9-5-4-7-17(23)22-24/h4-5,7,9,11-12H,6,8,10,13H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 55861984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).