2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide

C17H24N6O2 — CID 56802396

IUPAC2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide
SMILESCc1nc(CN2CCCC(N(C)CC(=O)Nc3cccnc3)C2)no1
InChIInChI=1S/C17H24N6O2/c1-13-19-16(21-25-13)11-23-8-4-6-15(10-23)22(2)12-17(24)20-14-5-3-7-18-9-14/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3,(H,20,24)
InChIKeyMYSFPEBIOCIUQP-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.31
Rot. Bonds6

About 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide

2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide (PubChem CID 56802396) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide
PubChem CID56802396
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide
SMILESCc1nc(CN2CCCC(N(C)CC(=O)Nc3cccnc3)C2)no1
InChIInChI=1S/C17H24N6O2/c1-13-19-16(21-25-13)11-23-8-4-6-15(10-23)22(2)12-17(24)20-14-5-3-7-18-9-14/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3,(H,20,24)
InChIKeyMYSFPEBIOCIUQP-UHFFFAOYSA-N
XLogP1.31
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide (CID 56802396) is 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide is Cc1nc(CN2CCCC(N(C)CC(=O)Nc3cccnc3)C2)no1.
What is the InChIKey of 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide?
The InChIKey is MYSFPEBIOCIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-19-16(21-25-13)11-23-8-4-6-15(10-23)22(2)12-17(24)20-14-5-3-7-18-9-14/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3,(H,20,24).
What are the key properties of 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide?
2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide has a molecular weight of 344.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 56802396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).