N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

C22H18N4O2 — CID 176939143

IUPACN-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=CCc1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1
InChIInChI=1S/C22H18N4O2/c27-12-10-16-3-7-20(8-4-16)25-22(28)13-17-1-5-18(6-2-17)19-9-11-26-21(14-19)23-15-24-26/h1-9,11-12,14-15H,10,13H2,(H,25,28)
InChIKeyUCSYYZLRRQOGRD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.32
Rot. Bonds6

About N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (PubChem CID 176939143) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
PubChem CID176939143
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=CCc1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1
InChIInChI=1S/C22H18N4O2/c27-12-10-16-3-7-20(8-4-16)25-22(28)13-17-1-5-18(6-2-17)19-9-11-26-21(14-19)23-15-24-26/h1-9,11-12,14-15H,10,13H2,(H,25,28)
InChIKeyUCSYYZLRRQOGRD-UHFFFAOYSA-N
XLogP3.32
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939227
N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939050
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939083
propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
CID 176939177
N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939094
N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939269
N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939067
N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939309
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 176939255
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
CID 176939197
[4-(2-oxoethyl)phenyl]carbamic acid
CID 87359539
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (CID 176939143) is N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is O=CCc1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1.
What is the InChIKey of N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The InChIKey is UCSYYZLRRQOGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-12-10-16-3-7-20(8-4-16)25-22(28)13-17-1-5-18(6-2-17)19-9-11-26-21(14-19)23-15-24-26/h1-9,11-12,14-15H,10,13H2,(H,25,28).
What are the key properties of N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is sourced from PubChem (CID 176939143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).