(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate

C17H19NO3 — CID 11716162

IUPAC(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate
SMILESCCCCc1c(OC(C)=O)c(-c2ccccc2)c[nH]c1=O
InChIInChI=1S/C17H19NO3/c1-3-4-10-14-16(21-12(2)19)15(11-18-17(14)20)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyVUFCPLXGIXMPLV-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.31
Rot. Bonds5

About (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate

(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate (PubChem CID 11716162) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate.

Molecular Properties

Compound Name(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate
PubChem CID11716162
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate
SMILESCCCCc1c(OC(C)=O)c(-c2ccccc2)c[nH]c1=O
InChIInChI=1S/C17H19NO3/c1-3-4-10-14-16(21-12(2)19)15(11-18-17(14)20)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyVUFCPLXGIXMPLV-UHFFFAOYSA-N
XLogP3.31
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Citridone A
CID 11415143
4,6-dimethyl-2-oxo-N-(2-phenylethyl)-2H-pyran-5-carboxamide
CID 660877
CJ-16,170
CID 11392785
(2R,3R)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one
CID 69960519
2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 162658070
2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one
CID 162660577
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]decanamide
CID 172440712
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]pentanamide
CID 172444504
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]octanamide
CID 172452685
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]nonanamide
CID 172456897
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]hexanamide
CID 172460179
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]-3-phenylpropanamide
CID 172460548

Frequently Asked Questions

What is the IUPAC name of (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate?
The IUPAC name of (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate (CID 11716162) is (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate.
What is the SMILES notation for (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate?
The canonical SMILES for (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate is CCCCc1c(OC(C)=O)c(-c2ccccc2)c[nH]c1=O.
What is the InChIKey of (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate?
The InChIKey is VUFCPLXGIXMPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-4-10-14-16(21-12(2)19)15(11-18-17(14)20)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,18,20).
What are the key properties of (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate?
(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate has a molecular weight of 285.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate is sourced from PubChem (CID 11716162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).