5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one

C19H26N2O2 — CID 73437603

IUPAC5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one
SMILESCCCCCCc1cc(=O)c(Oc2ccc(N)cc2C)cn1C
InChIInChI=1S/C19H26N2O2/c1-4-5-6-7-8-16-12-17(22)19(13-21(16)3)23-18-10-9-15(20)11-14(18)2/h9-13H,4-8,20H2,1-3H3
InChIKeyYALGUPBMXZEXMF-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.19
Rot. Bonds7

About 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one

5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one (PubChem CID 73437603) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one.

Molecular Properties

Compound Name5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one
PubChem CID73437603
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one
SMILESCCCCCCc1cc(=O)c(Oc2ccc(N)cc2C)cn1C
InChIInChI=1S/C19H26N2O2/c1-4-5-6-7-8-16-12-17(22)19(13-21(16)3)23-18-10-9-15(20)11-14(18)2/h9-13H,4-8,20H2,1-3H3
InChIKeyYALGUPBMXZEXMF-UHFFFAOYSA-N
XLogP4.19
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one?
The IUPAC name of 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one (CID 73437603) is 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one.
What is the SMILES notation for 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one?
The canonical SMILES for 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one is CCCCCCc1cc(=O)c(Oc2ccc(N)cc2C)cn1C.
What is the InChIKey of 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one?
The InChIKey is YALGUPBMXZEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-5-6-7-8-16-12-17(22)19(13-21(16)3)23-18-10-9-15(20)11-14(18)2/h9-13H,4-8,20H2,1-3H3.
What are the key properties of 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one?
5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one has a molecular weight of 314.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylphenoxy)-2-hexyl-1-methylpyridin-4-one is sourced from PubChem (CID 73437603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).