3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one

C19H26N2O — CID 82520208

IUPAC3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc(C)cc2C)ccc(CN)c1=O
InChIInChI=1S/C19H26N2O/c1-4-5-6-11-21-18(10-8-16(13-20)19(21)22)17-9-7-14(2)12-15(17)3/h7-10,12H,4-6,11,13,20H2,1-3H3
InChIKeyDVZYUYYCECXPDC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.78
Rot. Bonds6

About 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one

3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one (PubChem CID 82520208) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
PubChem CID82520208
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc(C)cc2C)ccc(CN)c1=O
InChIInChI=1S/C19H26N2O/c1-4-5-6-11-21-18(10-8-16(13-20)19(21)22)17-9-7-14(2)12-15(17)3/h7-10,12H,4-6,11,13,20H2,1-3H3
InChIKeyDVZYUYYCECXPDC-UHFFFAOYSA-N
XLogP3.78
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
1-butyl-3-(chloromethyl)-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82519834
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
3-(aminomethyl)-1-cyclopentyl-6-(2,4-dimethylphenyl)pyridin-2-one
CID 82189330
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
3-(4-aminobutyl)-4-(2,4-dimethylphenyl)-1,3-thiazol-2-one
CID 82027932
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189611

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one (CID 82520208) is 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one is CCCCCn1c(-c2ccc(C)cc2C)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one?
The InChIKey is DVZYUYYCECXPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-5-6-11-21-18(10-8-16(13-20)19(21)22)17-9-7-14(2)12-15(17)3/h7-10,12H,4-6,11,13,20H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one?
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one is sourced from PubChem (CID 82520208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).