2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one

C14H24N2O2 — CID 82217539

IUPAC2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one
SMILESCCCCCn1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C14H24N2O2/c1-5-6-7-8-16-11(2)9-13(17)14(18)12(16)10-15(3)4/h9,18H,5-8,10H2,1-4H3
InChIKeyJUFISNKWKZEJAS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.11
Rot. Bonds6

About 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one

2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one (PubChem CID 82217539) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one
PubChem CID82217539
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one
SMILESCCCCCn1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C14H24N2O2/c1-5-6-7-8-16-11(2)9-13(17)14(18)12(16)10-15(3)4/h9,18H,5-8,10H2,1-4H3
InChIKeyJUFISNKWKZEJAS-UHFFFAOYSA-N
XLogP2.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one (CID 82217539) is 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one is CCCCCn1c(C)cc(=O)c(O)c1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one?
The InChIKey is JUFISNKWKZEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-6-7-8-16-11(2)9-13(17)14(18)12(16)10-15(3)4/h9,18H,5-8,10H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one?
2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-1-pentylpyridin-4-one is sourced from PubChem (CID 82217539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).