5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one

C16H23N3O2 — CID 86773880

IUPAC5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one
SMILESCc1ccc(NCC2CCN(C3CC(C)OC3=O)C2)nc1
InChIInChI=1S/C16H23N3O2/c1-11-3-4-15(17-8-11)18-9-13-5-6-19(10-13)14-7-12(2)21-16(14)20/h3-4,8,12-14H,5-7,9-10H2,1-2H3,(H,17,18)
InChIKeyVSASMZSSGSEMJL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds4

About 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one

5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one (PubChem CID 86773880) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one
PubChem CID86773880
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one
SMILESCc1ccc(NCC2CCN(C3CC(C)OC3=O)C2)nc1
InChIInChI=1S/C16H23N3O2/c1-11-3-4-15(17-8-11)18-9-13-5-6-19(10-13)14-7-12(2)21-16(14)20/h3-4,8,12-14H,5-7,9-10H2,1-2H3,(H,17,18)
InChIKeyVSASMZSSGSEMJL-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one (CID 86773880) is 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one is Cc1ccc(NCC2CCN(C3CC(C)OC3=O)C2)nc1.
What is the InChIKey of 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one?
The InChIKey is VSASMZSSGSEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-3-4-15(17-8-11)18-9-13-5-6-19(10-13)14-7-12(2)21-16(14)20/h3-4,8,12-14H,5-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one?
5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 86773880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).