1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one

C18H24N2O — CID 82521163

IUPAC1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
SMILESCCCCn1c(-c2ccccc2)ccc(CNCC)c1=O
InChIInChI=1S/C18H24N2O/c1-3-5-13-20-17(15-9-7-6-8-10-15)12-11-16(18(20)21)14-19-4-2/h6-12,19H,3-5,13-14H2,1-2H3
InChIKeyCHYPVPLTUXYUBO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.42
Rot. Bonds7

About 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one

1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one (PubChem CID 82521163) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
PubChem CID82521163
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
SMILESCCCCn1c(-c2ccccc2)ccc(CNCC)c1=O
InChIInChI=1S/C18H24N2O/c1-3-5-13-20-17(15-9-7-6-8-10-15)12-11-16(18(20)21)14-19-4-2/h6-12,19H,3-5,13-14H2,1-2H3
InChIKeyCHYPVPLTUXYUBO-UHFFFAOYSA-N
XLogP3.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
1-butyl-6-phenylpyrimidin-2-one
CID 102529038
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one?
The IUPAC name of 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one (CID 82521163) is 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one.
What is the SMILES notation for 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one?
The canonical SMILES for 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one is CCCCn1c(-c2ccccc2)ccc(CNCC)c1=O.
What is the InChIKey of 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one?
The InChIKey is CHYPVPLTUXYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-5-13-20-17(15-9-7-6-8-10-15)12-11-16(18(20)21)14-19-4-2/h6-12,19H,3-5,13-14H2,1-2H3.
What are the key properties of 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one?
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one is sourced from PubChem (CID 82521163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).