1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one

C20H26N2O2 — CID 10042063

IUPAC1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
SMILESCC1CCC(NCc2ccn(Cc3ccccc3)c(=O)c2O)CC1
InChIInChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)21-13-17-11-12-22(20(24)19(17)23)14-16-5-3-2-4-6-16/h2-6,11-12,15,18,21,23H,7-10,13-14H2,1H3
InChIKeyVJHCNYYTYSQTGD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.27
Rot. Bonds5

About 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one

1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one (PubChem CID 10042063) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
PubChem CID10042063
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
SMILESCC1CCC(NCc2ccn(Cc3ccccc3)c(=O)c2O)CC1
InChIInChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)21-13-17-11-12-22(20(24)19(17)23)14-16-5-3-2-4-6-16/h2-6,11-12,15,18,21,23H,7-10,13-14H2,1H3
InChIKeyVJHCNYYTYSQTGD-UHFFFAOYSA-N
XLogP3.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one (CID 10042063) is 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one is CC1CCC(NCc2ccn(Cc3ccccc3)c(=O)c2O)CC1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one?
The InChIKey is VJHCNYYTYSQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)21-13-17-11-12-22(20(24)19(17)23)14-16-5-3-2-4-6-16/h2-6,11-12,15,18,21,23H,7-10,13-14H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one?
1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one is sourced from PubChem (CID 10042063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).