3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one

C11H16N2O2 — CID 46231672

IUPAC3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one
SMILESCN(CCO)CCC(=O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-13(7-8-14)6-4-11(15)10-3-2-5-12-9-10/h2-3,5,9,14H,4,6-8H2,1H3
InChIKeySEEZVNQZLAQGQT-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.58
Rot. Bonds6

About 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one

3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one (PubChem CID 46231672) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one
PubChem CID46231672
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one
SMILESCN(CCO)CCC(=O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-13(7-8-14)6-4-11(15)10-3-2-5-12-9-10/h2-3,5,9,14H,4,6-8H2,1H3
InChIKeySEEZVNQZLAQGQT-UHFFFAOYSA-N
XLogP0.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one (CID 46231672) is 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one is CN(CCO)CCC(=O)c1cccnc1.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one?
The InChIKey is SEEZVNQZLAQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(7-8-14)6-4-11(15)10-3-2-5-12-9-10/h2-3,5,9,14H,4,6-8H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one?
3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 46231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).