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

C20H20N4O3 — CID 125448468

IUPAC3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2ccc(C(C)=O)cn2)c1)c1nc(C)no1
InChIInChI=1S/C20H20N4O3/c1-4-17(20-22-13(3)24-27-20)23-19(26)15-7-5-6-14(10-15)18-9-8-16(11-21-18)12(2)25/h5-11,17H,4H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyHQBMEIAOEKXXSV-QGZVFWFLSA-N
MW364.41 g/mol
LogP3.52
Rot. Bonds6

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

3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 125448468) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID125448468
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2ccc(C(C)=O)cn2)c1)c1nc(C)no1
InChIInChI=1S/C20H20N4O3/c1-4-17(20-22-13(3)24-27-20)23-19(26)15-7-5-6-14(10-15)18-9-8-16(11-21-18)12(2)25/h5-11,17H,4H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyHQBMEIAOEKXXSV-QGZVFWFLSA-N
XLogP3.52
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125171592
4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 126448858
4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 91760035
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46993244
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91769195
N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 72922256
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
3-(aminomethyl)-N-[1-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 22949329
1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]propylcarbamic acid
CID 71062630
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 125448468) is 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is CC[C@@H](NC(=O)c1cccc(-c2ccc(C(C)=O)cn2)c1)c1nc(C)no1.
What is the InChIKey of 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is HQBMEIAOEKXXSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-17(20-22-13(3)24-27-20)23-19(26)15-7-5-6-14(10-15)18-9-8-16(11-21-18)12(2)25/h5-11,17H,4H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 125448468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).