N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

C20H22N4O3 — CID 157010924

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H22N4O3/c1-13(2)19-15(8-9-17(25)23-19)20(26)21-11-10-18-22-16(24-27-18)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyQDTGMZIQKAPEMR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 157010924) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID157010924
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H22N4O3/c1-13(2)19-15(8-9-17(25)23-19)20(26)21-11-10-18-22-16(24-27-18)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyQDTGMZIQKAPEMR-UHFFFAOYSA-N
XLogP2.44
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70753464
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 90652660
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012402
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide;dihydrochloride
CID 154901382
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 97119837
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide
CID 91784327
(2S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-dioxane-2-carboxamide
CID 125172158

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide (CID 157010924) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1[nH]c(=O)ccc1C(=O)NCCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is QDTGMZIQKAPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)19-15(8-9-17(25)23-19)20(26)21-11-10-18-22-16(24-27-18)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 157010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).