N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide

C21H18N6O4 — CID 71794055

IUPACN-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cc(-c3nc(-c4cnccn4)no3)ccc2=O)cc1
InChIInChI=1S/C21H18N6O4/c1-30-16-5-2-14(3-6-16)10-24-18(28)13-27-12-15(4-7-19(27)29)21-25-20(26-31-21)17-11-22-8-9-23-17/h2-9,11-12H,10,13H2,1H3,(H,24,28)
InChIKeyAEZAWBIJRLMWOE-UHFFFAOYSA-N
MW418.41 g/mol
LogP1.68
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (PubChem CID 71794055) has the molecular formula C21H18N6O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
PubChem CID71794055
Molecular FormulaC21H18N6O4
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cc(-c3nc(-c4cnccn4)no3)ccc2=O)cc1
InChIInChI=1S/C21H18N6O4/c1-30-16-5-2-14(3-6-16)10-24-18(28)13-27-12-15(4-7-19(27)29)21-25-20(26-31-21)17-11-22-8-9-23-17/h2-9,11-12H,10,13H2,1H3,(H,24,28)
InChIKeyAEZAWBIJRLMWOE-UHFFFAOYSA-N
XLogP1.68
TPSA125.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide 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

N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45369782
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 25238116
N-[(4-fluorophenyl)methyl]-2-[2-oxo-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 53137307
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53132565
N-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833391
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841096
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51366743
N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 53137219

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (CID 71794055) is N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is COc1ccc(CNC(=O)Cn2cc(-c3nc(-c4cnccn4)no3)ccc2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The InChIKey is AEZAWBIJRLMWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4/c1-30-16-5-2-14(3-6-16)10-24-18(28)13-27-12-15(4-7-19(27)29)21-25-20(26-31-21)17-11-22-8-9-23-17/h2-9,11-12H,10,13H2,1H3,(H,24,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide has a molecular weight of 418.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 71794055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).