3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one

C18H24N2O2 — CID 82517397

IUPAC3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
SMILESCCC(C)n1c(-c2cc(C)ccc2OC)ccc(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-13(3)20-16(8-7-14(11-19)18(20)21)15-10-12(2)6-9-17(15)22-4/h6-10,13H,5,11,19H2,1-4H3
InChIKeyUUXOKNVSVSPQFC-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.26
Rot. Bonds5

About 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one

3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one (PubChem CID 82517397) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
PubChem CID82517397
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
SMILESCCC(C)n1c(-c2cc(C)ccc2OC)ccc(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-13(3)20-16(8-7-14(11-19)18(20)21)15-10-12(2)6-9-17(15)22-4/h6-10,13H,5,11,19H2,1-4H3
InChIKeyUUXOKNVSVSPQFC-UHFFFAOYSA-N
XLogP3.26
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
3-amino-1-ethyl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82467176
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
CID 82518930
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82445242

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one (CID 82517397) is 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one is CCC(C)n1c(-c2cc(C)ccc2OC)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one?
The InChIKey is UUXOKNVSVSPQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-13(3)20-16(8-7-14(11-19)18(20)21)15-10-12(2)6-9-17(15)22-4/h6-10,13H,5,11,19H2,1-4H3.
What are the key properties of 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one?
3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82517397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).