4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide

C12H14N4O2 — CID 47208997

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
SMILESCc1noc(CCCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H14N4O2/c1-9-14-12(18-16-9)7-4-6-11(17)15-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,15,17)
InChIKeyXMWWKQVTGBSDAE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.73
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide (PubChem CID 47208997) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
PubChem CID47208997
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
SMILESCc1noc(CCCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H14N4O2/c1-9-14-12(18-16-9)7-4-6-11(17)15-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,15,17)
InChIKeyXMWWKQVTGBSDAE-UHFFFAOYSA-N
XLogP1.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 666965
4-(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 2806704
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
CID 666501
5-(4-(Piperidin-1-yl)butyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole
CID 52946273
US10150763, Example Q
CID 76073071
US10150763, Example R
CID 76073072
4-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
CID 2761143
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-yl)butanamide
CID 666208
5-Oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 776619
US10150763, Example C
CID 76072997
N-hydroxy-8-((3-methyl-1,2,4-oxadiazol-5-yl)(pyridin-2-yl)amino)octanamide
CID 76072998
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 45817143

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide (CID 47208997) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide is Cc1noc(CCCC(=O)Nc2ccccn2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide?
The InChIKey is XMWWKQVTGBSDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-14-12(18-16-9)7-4-6-11(17)15-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,15,17).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide has a molecular weight of 246.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 47208997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).