3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one

C20H26N2O — CID 82189598

IUPAC3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-c2cc(C)c(CN)c(=O)n2C2CCCCC2)cc1
InChIInChI=1S/C20H26N2O/c1-14-8-10-16(11-9-14)19-12-15(2)18(13-21)20(23)22(19)17-6-4-3-5-7-17/h8-12,17H,3-7,13,21H2,1-2H3
InChIKeyJQOSKHQHACAFTN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.10
Rot. Bonds3

About 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one

3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one (PubChem CID 82189598) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
PubChem CID82189598
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-c2cc(C)c(CN)c(=O)n2C2CCCCC2)cc1
InChIInChI=1S/C20H26N2O/c1-14-8-10-16(11-9-14)19-12-15(2)18(13-21)20(23)22(19)17-6-4-3-5-7-17/h8-12,17H,3-7,13,21H2,1-2H3
InChIKeyJQOSKHQHACAFTN-UHFFFAOYSA-N
XLogP4.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one (CID 82189598) is 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one is Cc1ccc(-c2cc(C)c(CN)c(=O)n2C2CCCCC2)cc1.
What is the InChIKey of 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
The InChIKey is JQOSKHQHACAFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-8-10-16(11-9-14)19-12-15(2)18(13-21)20(23)22(19)17-6-4-3-5-7-17/h8-12,17H,3-7,13,21H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one?
3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).