6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile

C16H23N3O3 — CID 3152402

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCCC(C)C2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C16H23N3O3/c1-11-4-3-5-18(9-11)10-14-12(2)13(8-17)15(21)19(6-7-20)16(14)22/h11,20,22H,3-7,9-10H2,1-2H3
InChIKeyILHJYAGLGNWFIG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.96
Rot. Bonds4

About 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile

6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 3152402) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID3152402
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCCC(C)C2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C16H23N3O3/c1-11-4-3-5-18(9-11)10-14-12(2)13(8-17)15(21)19(6-7-20)16(14)22/h11,20,22H,3-7,9-10H2,1-2H3
InChIKeyILHJYAGLGNWFIG-UHFFFAOYSA-N
XLogP0.96
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile (CID 3152402) is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile is Cc1c(CN2CCCC(C)C2)c(O)n(CCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is ILHJYAGLGNWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-4-3-5-18(9-11)10-14-12(2)13(8-17)15(21)19(6-7-20)16(14)22/h11,20,22H,3-7,9-10H2,1-2H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3152402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).