4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one

C15H16N2O — CID 116567147

IUPAC4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
SMILESNCC(C(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c16-11-14(13-4-2-1-3-5-13)15(18)10-12-6-8-17-9-7-12/h1-9,14H,10-11,16H2
InChIKeyRLZIKLNOSUKQJS-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.94
Rot. Bonds5

About 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one

4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one (PubChem CID 116567147) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
PubChem CID116567147
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
SMILESNCC(C(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c16-11-14(13-4-2-1-3-5-13)15(18)10-12-6-8-17-9-7-12/h1-9,14H,10-11,16H2
InChIKeyRLZIKLNOSUKQJS-UHFFFAOYSA-N
XLogP1.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
1-amino-2-phenylhexan-3-one
CID 116566947
4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
CID 116564669
4-amino-1-(4-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 107889994
(3S)-5-bromo-1,3-diphenylpentan-2-one
CID 6932716
4-amino-1-(1-methyltriazol-4-yl)-3-phenylbutan-2-one
CID 107061986
1-amino-2-phenylundecan-3-one
CID 116566909
1,1-difluoro-3-pyridin-4-ylpropan-2-one
CID 112699124
methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773
(3S)-4-nitro-1,3-diphenylbutan-2-one
CID 163572422
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
4-amino-1-(2-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 116567097

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one?
The IUPAC name of 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one (CID 116567147) is 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one.
What is the SMILES notation for 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one?
The canonical SMILES for 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one is NCC(C(=O)Cc1ccncc1)c1ccccc1.
What is the InChIKey of 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one?
The InChIKey is RLZIKLNOSUKQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-11-14(13-4-2-1-3-5-13)15(18)10-12-6-8-17-9-7-12/h1-9,14H,10-11,16H2.
What are the key properties of 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one?
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one has a molecular weight of 240.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one is sourced from PubChem (CID 116567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).