2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide

C17H17N5O2 — CID 3600898

IUPAC2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide
SMILESCc1ccc(-c2nnc(-c3cc(C(=O)NN)c(C)nc3C)o2)cc1
InChIInChI=1S/C17H17N5O2/c1-9-4-6-12(7-5-9)16-21-22-17(24-16)14-8-13(15(23)20-18)10(2)19-11(14)3/h4-8H,18H2,1-3H3,(H,20,23)
InChIKeySSFXLOWYEUPPRF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.33
Rot. Bonds3

About 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide

2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide (PubChem CID 3600898) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide
PubChem CID3600898
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide
SMILESCc1ccc(-c2nnc(-c3cc(C(=O)NN)c(C)nc3C)o2)cc1
InChIInChI=1S/C17H17N5O2/c1-9-4-6-12(7-5-9)16-21-22-17(24-16)14-8-13(15(23)20-18)10(2)19-11(14)3/h4-8H,18H2,1-3H3,(H,20,23)
InChIKeySSFXLOWYEUPPRF-UHFFFAOYSA-N
XLogP2.33
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide (CID 3600898) is 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide is Cc1ccc(-c2nnc(-c3cc(C(=O)NN)c(C)nc3C)o2)cc1.
What is the InChIKey of 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide?
The InChIKey is SSFXLOWYEUPPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-4-6-12(7-5-9)16-21-22-17(24-16)14-8-13(15(23)20-18)10(2)19-11(14)3/h4-8H,18H2,1-3H3,(H,20,23).
What are the key properties of 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide?
2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide has a molecular weight of 323.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 3600898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).