2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide

C21H33N7O2 — CID 68556245

IUPAC2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide
SMILESCc1nc(NCCC(C)C2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)NN
InChIInChI=1S/C21H33N7O2/c1-13(2)19-25-21(30-27-19)28-11-8-16(9-12-28)14(3)7-10-23-18-6-5-17(15(4)24-18)20(29)26-22/h5-6,13-14,16H,7-12,22H2,1-4H3,(H,23,24)(H,26,29)
InChIKeyKJLYWLBELBDFPL-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.85
Rot. Bonds8

About 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide

2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide (PubChem CID 68556245) has the molecular formula C21H33N7O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide
PubChem CID68556245
Molecular FormulaC21H33N7O2
Molecular Weight415.54 g/mol
Exact Mass415.27
IUPAC Name2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide
SMILESCc1nc(NCCC(C)C2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)NN
InChIInChI=1S/C21H33N7O2/c1-13(2)19-25-21(30-27-19)28-11-8-16(9-12-28)14(3)7-10-23-18-6-5-17(15(4)24-18)20(29)26-22/h5-6,13-14,16H,7-12,22H2,1-4H3,(H,23,24)(H,26,29)
InChIKeyKJLYWLBELBDFPL-UHFFFAOYSA-N
XLogP2.85
TPSA122.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide (CID 68556245) is 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide is Cc1nc(NCCC(C)C2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)NN.
What is the InChIKey of 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide?
The InChIKey is KJLYWLBELBDFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O2/c1-13(2)19-25-21(30-27-19)28-11-8-16(9-12-28)14(3)7-10-23-18-6-5-17(15(4)24-18)20(29)26-22/h5-6,13-14,16H,7-12,22H2,1-4H3,(H,23,24)(H,26,29).
What are the key properties of 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide?
2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide has a molecular weight of 415.54 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butylamino]pyridine-3-carbohydrazide is sourced from PubChem (CID 68556245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).