N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide

C21H24N4O2 — CID 119064683

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1ccc(C(=O)N(C)Cc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-14(2)11-19-23-20(27-24-19)13-25(4)21(26)17-7-5-16(6-8-17)18-9-10-22-12-15(18)3/h5-10,12,14H,11,13H2,1-4H3
InChIKeyAGDWAMAGWWJWJL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.91
Rot. Bonds6

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide (PubChem CID 119064683) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide
PubChem CID119064683
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1ccc(C(=O)N(C)Cc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-14(2)11-19-23-20(27-24-19)13-25(4)21(26)17-7-5-16(6-8-17)18-9-10-22-12-15(18)3/h5-10,12,14H,11,13H2,1-4H3
InChIKeyAGDWAMAGWWJWJL-UHFFFAOYSA-N
XLogP3.91
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718296
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447987
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 131923845
N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 167849389
4-[4-[(dimethylamino)methyl]-2-(hydroxymethyl)phenyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 164688280
1-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]urea
CID 122567908
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,4-trimethylbenzamide
CID 6463798
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 119070117
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetic acid
CID 54899106

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide (CID 119064683) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1-c1ccc(C(=O)N(C)Cc2nc(CC(C)C)no2)cc1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is AGDWAMAGWWJWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)11-19-23-20(27-24-19)13-25(4)21(26)17-7-5-16(6-8-17)18-9-10-22-12-15(18)3/h5-10,12,14H,11,13H2,1-4H3.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 119064683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).