1,4-dipyridin-2-ylbutan-2-one

C14H14N2O — CID 105108067

IUPAC1,4-dipyridin-2-ylbutan-2-one
SMILESO=C(CCc1ccccn1)Cc1ccccn1
InChIInChI=1S/C14H14N2O/c17-14(11-13-6-2-4-10-16-13)8-7-12-5-1-3-9-15-12/h1-6,9-10H,7-8,11H2
InChIKeyKTOSVFHCEJJXPW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.22
Rot. Bonds5

About 1,4-dipyridin-2-ylbutan-2-one

1,4-dipyridin-2-ylbutan-2-one (PubChem CID 105108067) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,4-dipyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name1,4-dipyridin-2-ylbutan-2-one
PubChem CID105108067
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1,4-dipyridin-2-ylbutan-2-one
SMILESO=C(CCc1ccccn1)Cc1ccccn1
InChIInChI=1S/C14H14N2O/c17-14(11-13-6-2-4-10-16-13)8-7-12-5-1-3-9-15-12/h1-6,9-10H,7-8,11H2
InChIKeyKTOSVFHCEJJXPW-UHFFFAOYSA-N
XLogP2.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dipyridin-2-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
1-pyridin-2-yldecan-2-one
CID 62622628
5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one
CID 105082607
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
CID 161352195
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
CID 105084640
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
CID 131857449
CID 131857449
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105102243

Frequently Asked Questions

What is the IUPAC name of 1,4-dipyridin-2-ylbutan-2-one?
The IUPAC name of 1,4-dipyridin-2-ylbutan-2-one (CID 105108067) is 1,4-dipyridin-2-ylbutan-2-one.
What is the SMILES notation for 1,4-dipyridin-2-ylbutan-2-one?
The canonical SMILES for 1,4-dipyridin-2-ylbutan-2-one is O=C(CCc1ccccn1)Cc1ccccn1.
What is the InChIKey of 1,4-dipyridin-2-ylbutan-2-one?
The InChIKey is KTOSVFHCEJJXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(11-13-6-2-4-10-16-13)8-7-12-5-1-3-9-15-12/h1-6,9-10H,7-8,11H2.
What are the key properties of 1,4-dipyridin-2-ylbutan-2-one?
1,4-dipyridin-2-ylbutan-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipyridin-2-ylbutan-2-one is sourced from PubChem (CID 105108067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).