N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

C23H23N5O3 — CID 46269307

IUPACN-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(C)cc(=O)n2nc(-c3cccc(C)c3)nc12
InChIInChI=1S/C23H23N5O3/c1-4-31-19-11-6-5-10-18(19)24-20(29)14-27-16(3)13-21(30)28-23(27)25-22(26-28)17-9-7-8-15(2)12-17/h5-13H,4,14H2,1-3H3,(H,24,29)
InChIKeyIDYZNYWDDJBNNJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.21
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 46269307) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID46269307
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(C)cc(=O)n2nc(-c3cccc(C)c3)nc12
InChIInChI=1S/C23H23N5O3/c1-4-31-19-11-6-5-10-18(19)24-20(29)14-27-16(3)13-21(30)28-23(27)25-22(26-28)17-9-7-8-15(2)12-17/h5-13H,4,14H2,1-3H3,(H,24,29)
InChIKeyIDYZNYWDDJBNNJ-UHFFFAOYSA-N
XLogP3.21
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 46269284
N-(4-ethoxyphenyl)-2-[5-methyl-2-(2-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 50750600
N-(2-ethoxyphenyl)-2-(5-methyl-7-oxo-2-phenyl-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 53048607
2-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide
CID 39967489
2-[2-[4-(cyanomethoxy)phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132369
2-[2-[4-(methanesulfonamido)phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132247
N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422110
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805
N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266460
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
N-(2-ethoxyphenyl)-2-(6-methyl-2-phenylquinolin-4-yl)oxyacetamide
CID 46298833
2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 50750710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 46269307) is N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide is CCOc1ccccc1NC(=O)Cn1c(C)cc(=O)n2nc(-c3cccc(C)c3)nc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is IDYZNYWDDJBNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-31-19-11-6-5-10-18(19)24-20(29)14-27-16(3)13-21(30)28-23(27)25-22(26-28)17-9-7-8-15(2)12-17/h5-13H,4,14H2,1-3H3,(H,24,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 46269307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).