2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone

C13H18N2O2 — CID 104750414

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)Cc1ccncc1
InChIInChI=1S/C13H18N2O2/c1-15(8-11-2-5-14-6-3-11)9-13(16)12-4-7-17-10-12/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyOTYOUMKODRRILS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.12
Rot. Bonds5

About 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone

2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750414) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750414
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)Cc1ccncc1
InChIInChI=1S/C13H18N2O2/c1-15(8-11-2-5-14-6-3-11)9-13(16)12-4-7-17-10-12/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyOTYOUMKODRRILS-UHFFFAOYSA-N
XLogP1.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone (CID 104750414) is 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone is CN(CC(=O)C1CCOC1)Cc1ccncc1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is OTYOUMKODRRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(8-11-2-5-14-6-3-11)9-13(16)12-4-7-17-10-12/h2-3,5-6,12H,4,7-10H2,1H3.
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).