3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane

C16H22N2O — CID 144554900

IUPAC3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(Cc2ccccc2)[nH]c(=O)c1CN
InChIInChI=1S/C14H16N2O.C2H6/c1-10-7-12(16-14(17)13(10)9-15)8-11-5-3-2-4-6-11;1-2/h2-7H,8-9,15H2,1H3,(H,16,17);1-2H3
InChIKeyBIFCPHFXUKFVHO-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.76
Rot. Bonds3

About 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane

3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane (PubChem CID 144554900) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane
PubChem CID144554900
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(Cc2ccccc2)[nH]c(=O)c1CN
InChIInChI=1S/C14H16N2O.C2H6/c1-10-7-12(16-14(17)13(10)9-15)8-11-5-3-2-4-6-11;1-2/h2-7H,8-9,15H2,1H3,(H,16,17);1-2H3
InChIKeyBIFCPHFXUKFVHO-UHFFFAOYSA-N
XLogP2.76
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane?
The IUPAC name of 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane (CID 144554900) is 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane is CC.Cc1cc(Cc2ccccc2)[nH]c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane?
The InChIKey is BIFCPHFXUKFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C2H6/c1-10-7-12(16-14(17)13(10)9-15)8-11-5-3-2-4-6-11;1-2/h2-7H,8-9,15H2,1H3,(H,16,17);1-2H3.
What are the key properties of 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane?
3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane has a molecular weight of 258.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane is sourced from PubChem (CID 144554900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).