N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C23H30N6O3 — CID 99791243

IUPACN-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCCN1CCN(c2ccc(NC(=O)Cn3nc4ccccn4c3=O)c(OCC)c2)CC1
InChIInChI=1S/C23H30N6O3/c1-3-10-26-12-14-27(15-13-26)18-8-9-19(20(16-18)32-4-2)24-22(30)17-29-23(31)28-11-6-5-7-21(28)25-29/h5-9,11,16H,3-4,10,12-15,17H2,1-2H3,(H,24,30)
InChIKeyXIVQMFYHPKVQDO-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.07
Rot. Bonds8

About N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 99791243) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID99791243
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC NameN-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCCN1CCN(c2ccc(NC(=O)Cn3nc4ccccn4c3=O)c(OCC)c2)CC1
InChIInChI=1S/C23H30N6O3/c1-3-10-26-12-14-27(15-13-26)18-8-9-19(20(16-18)32-4-2)24-22(30)17-29-23(31)28-11-6-5-7-21(28)25-29/h5-9,11,16H,3-4,10,12-15,17H2,1-2H3,(H,24,30)
InChIKeyXIVQMFYHPKVQDO-UHFFFAOYSA-N
XLogP2.07
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166204329
2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43065476
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;methanol
CID 19795514
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 71876746
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 58589343
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422926
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117
N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 99791237
N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
CID 78852045

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 99791243) is N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CCCN1CCN(c2ccc(NC(=O)Cn3nc4ccccn4c3=O)c(OCC)c2)CC1.
What is the InChIKey of N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is XIVQMFYHPKVQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-3-10-26-12-14-27(15-13-26)18-8-9-19(20(16-18)32-4-2)24-22(30)17-29-23(31)28-11-6-5-7-21(28)25-29/h5-9,11,16H,3-4,10,12-15,17H2,1-2H3,(H,24,30).
What are the key properties of N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 438.53 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 99791243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).