3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

C16H18N6O2 — CID 39997454

IUPAC3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2ccc(-n3cccn3)nc2)n1
InChIInChI=1S/C16H18N6O2/c1-2-4-13-20-16(24-21-13)8-7-15(23)19-12-5-6-14(17-11-12)22-10-3-9-18-22/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,19,23)
InChIKeyYQUMCVKLUIHURT-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.17
Rot. Bonds7

About 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 39997454) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID39997454
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2ccc(-n3cccn3)nc2)n1
InChIInChI=1S/C16H18N6O2/c1-2-4-13-20-16(24-21-13)8-7-15(23)19-12-5-6-14(17-11-12)22-10-3-9-18-22/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,19,23)
InChIKeyYQUMCVKLUIHURT-UHFFFAOYSA-N
XLogP2.17
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (CID 39997454) is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is CCCc1noc(CCC(=O)Nc2ccc(-n3cccn3)nc2)n1.
What is the InChIKey of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is YQUMCVKLUIHURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-2-4-13-20-16(24-21-13)8-7-15(23)19-12-5-6-14(17-11-12)22-10-3-9-18-22/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,19,23).
What are the key properties of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 39997454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).