3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one

C13H22N2O2 — CID 162657314

IUPAC3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one
SMILESCCCCCNCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C13H22N2O2/c1-4-5-6-7-14-9-11-13(17)12(16)8-10(2)15(11)3/h8,14,17H,4-7,9H2,1-3H3
InChIKeyAFCSFNNPKSJNJX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.68
Rot. Bonds6

About 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one

3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one (PubChem CID 162657314) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one
PubChem CID162657314
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one
SMILESCCCCCNCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C13H22N2O2/c1-4-5-6-7-14-9-11-13(17)12(16)8-10(2)15(11)3/h8,14,17H,4-7,9H2,1-3H3
InChIKeyAFCSFNNPKSJNJX-UHFFFAOYSA-N
XLogP1.68
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
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 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one (CID 162657314) is 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one is CCCCCNCc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one?
The InChIKey is AFCSFNNPKSJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-6-7-14-9-11-13(17)12(16)8-10(2)15(11)3/h8,14,17H,4-7,9H2,1-3H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-[(pentylamino)methyl]pyridin-4-one is sourced from PubChem (CID 162657314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).