1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one

C18H24N2O — CID 62879481

IUPAC1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H24N2O/c1-4-9-19-18(13-20-10-7-17(21)8-11-20)16-6-5-14(2)15(3)12-16/h5-8,10-12,18-19H,4,9,13H2,1-3H3
InChIKeyADHAGBVRYPTBSK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.21
Rot. Bonds6

About 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one

1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one (PubChem CID 62879481) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
PubChem CID62879481
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H24N2O/c1-4-9-19-18(13-20-10-7-17(21)8-11-20)16-6-5-14(2)15(3)12-16/h5-8,10-12,18-19H,4,9,13H2,1-3H3
InChIKeyADHAGBVRYPTBSK-UHFFFAOYSA-N
XLogP3.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879646
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one
CID 55127615
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
N-[1-(3,4-dimethylphenyl)-2-propylsulfonylethyl]propan-1-amine
CID 64646093
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
N-[1-(3,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfanyl)ethyl]propan-1-amine
CID 64610659
N-[1-(3,4-dimethylphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107763957
N-[1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one (CID 62879481) is 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one is CCCNC(Cn1ccc(=O)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one?
The InChIKey is ADHAGBVRYPTBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-9-19-18(13-20-10-7-17(21)8-11-20)16-6-5-14(2)15(3)12-16/h5-8,10-12,18-19H,4,9,13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one?
1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one has a molecular weight of 284.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62879481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).