3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one

C13H18N2O2 — CID 162644991

IUPAC3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one
SMILESC#CCN(C)CCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C13H18N2O2/c1-4-7-14(3)8-5-9-15-10-6-12(16)13(17)11(15)2/h1,6,10,17H,5,7-9H2,2-3H3
InChIKeyOGLKVPGPJHINGD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.82
Rot. Bonds5

About 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one

3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one (PubChem CID 162644991) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one
PubChem CID162644991
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one
SMILESC#CCN(C)CCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C13H18N2O2/c1-4-7-14(3)8-5-9-15-10-6-12(16)13(17)11(15)2/h1,6,10,17H,5,7-9H2,2-3H3
InChIKeyOGLKVPGPJHINGD-UHFFFAOYSA-N
XLogP0.82
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one (CID 162644991) is 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one is C#CCN(C)CCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one?
The InChIKey is OGLKVPGPJHINGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-14(3)8-5-9-15-10-6-12(16)13(17)11(15)2/h1,6,10,17H,5,7-9H2,2-3H3.
What are the key properties of 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one?
3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one is sourced from PubChem (CID 162644991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).