3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one

C10H13N3O2 — CID 62465616

IUPAC3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESCNc1ncccc1CN1CCOC1=O
InChIInChI=1S/C10H13N3O2/c1-11-9-8(3-2-4-12-9)7-13-5-6-15-10(13)14/h2-4H,5-7H2,1H3,(H,11,12)
InChIKeyNDEWDXNYOZIGRZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.08
Rot. Bonds3

About 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one

3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62465616) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
PubChem CID62465616
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESCNc1ncccc1CN1CCOC1=O
InChIInChI=1S/C10H13N3O2/c1-11-9-8(3-2-4-12-9)7-13-5-6-15-10(13)14/h2-4H,5-7H2,1H3,(H,11,12)
InChIKeyNDEWDXNYOZIGRZ-UHFFFAOYSA-N
XLogP1.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one (CID 62465616) is 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one is CNc1ncccc1CN1CCOC1=O.
What is the InChIKey of 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NDEWDXNYOZIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-9-8(3-2-4-12-9)7-13-5-6-15-10(13)14/h2-4H,5-7H2,1H3,(H,11,12).
What are the key properties of 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62465616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).