6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one

C17H21ClN2O — CID 82519302

IUPAC6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(Cl)cc2)ccc(CNCC)c1=O
InChIInChI=1S/C17H21ClN2O/c1-3-11-20-16(13-5-8-15(18)9-6-13)10-7-14(17(20)21)12-19-4-2/h5-10,19H,3-4,11-12H2,1-2H3
InChIKeyBSFWMJHVBBKNFC-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.69
Rot. Bonds6

About 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one

6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one (PubChem CID 82519302) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
PubChem CID82519302
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(Cl)cc2)ccc(CNCC)c1=O
InChIInChI=1S/C17H21ClN2O/c1-3-11-20-16(13-5-8-15(18)9-6-13)10-7-14(17(20)21)12-19-4-2/h5-10,19H,3-4,11-12H2,1-2H3
InChIKeyBSFWMJHVBBKNFC-UHFFFAOYSA-N
XLogP3.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 82519366
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one (CID 82519302) is 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(Cl)cc2)ccc(CNCC)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
The InChIKey is BSFWMJHVBBKNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-11-20-16(13-5-8-15(18)9-6-13)10-7-14(17(20)21)12-19-4-2/h5-10,19H,3-4,11-12H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one has a molecular weight of 304.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82519302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).