1-(2-phenyl-4-pyridinyl)butan-1-one

C15H15NO — CID 44538893

IUPAC1-(2-phenyl-4-pyridinyl)butan-1-one
SMILESCCCC(=O)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C15H15NO/c1-2-6-15(17)13-9-10-16-14(11-13)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyGTNRNTXJUMSZLU-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-phenyl-4-pyridinyl)butan-1-one

1-(2-phenyl-4-pyridinyl)butan-1-one (PubChem CID 44538893) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-phenyl-4-pyridinyl)butan-1-one.

Molecular Properties

Compound Name1-(2-phenyl-4-pyridinyl)butan-1-one
PubChem CID44538893
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(2-phenyl-4-pyridinyl)butan-1-one
SMILESCCCC(=O)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C15H15NO/c1-2-6-15(17)13-9-10-16-14(11-13)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyGTNRNTXJUMSZLU-UHFFFAOYSA-N
XLogP3.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenyl-4-pyridinyl)butan-1-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

1-phenylbutan-1-one
CID 10315
2-phenylpyridine-4-carbonyl chloride
CID 139270869
1-phenylbutan-1-one;hydrobromide
CID 139638507
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
4-(1-ethoxyethenyl)-2-phenylpyridine
CID 141200949
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
1-(3-methylphenyl)butan-1-one
CID 4304992
1-(3-bromophenyl)butan-1-one
CID 18417701
1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone
CID 159973548
4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one
CID 147194743

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-4-pyridinyl)butan-1-one?
The IUPAC name of 1-(2-phenyl-4-pyridinyl)butan-1-one (CID 44538893) is 1-(2-phenyl-4-pyridinyl)butan-1-one.
What is the SMILES notation for 1-(2-phenyl-4-pyridinyl)butan-1-one?
The canonical SMILES for 1-(2-phenyl-4-pyridinyl)butan-1-one is CCCC(=O)c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 1-(2-phenyl-4-pyridinyl)butan-1-one?
The InChIKey is GTNRNTXJUMSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-6-15(17)13-9-10-16-14(11-13)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 1-(2-phenyl-4-pyridinyl)butan-1-one?
1-(2-phenyl-4-pyridinyl)butan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-4-pyridinyl)butan-1-one is sourced from PubChem (CID 44538893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).