6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one

C11H12N2O — CID 91045050

IUPAC6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one
SMILESO=C1CCN=C(Cc2ccccn2)C1
InChIInChI=1S/C11H12N2O/c14-11-4-6-13-10(8-11)7-9-3-1-2-5-12-9/h1-3,5H,4,6-8H2
InChIKeyOPANXTHFCZEEHL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.43
Rot. Bonds2

About 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one

6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one (PubChem CID 91045050) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one
PubChem CID91045050
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one
SMILESO=C1CCN=C(Cc2ccccn2)C1
InChIInChI=1S/C11H12N2O/c14-11-4-6-13-10(8-11)7-9-3-1-2-5-12-9/h1-3,5H,4,6-8H2
InChIKeyOPANXTHFCZEEHL-UHFFFAOYSA-N
XLogP1.43
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
N-cyclopropyl-3-(cyclopropylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 54869688
3-(pyridin-2-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171959354
3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
CID 54926408
8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171960175
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one
CID 130595767
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
2-(2-pyridin-2-ylethyl)cyclohexan-1-one
CID 12813906

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one (CID 91045050) is 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one is O=C1CCN=C(Cc2ccccn2)C1.
What is the InChIKey of 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is OPANXTHFCZEEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-4-6-13-10(8-11)7-9-3-1-2-5-12-9/h1-3,5H,4,6-8H2.
What are the key properties of 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one?
6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylmethyl)-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 91045050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).