5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one

C16H20N2O2 — CID 63324996

IUPAC5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2cc(C)ccc2O)ccc1=O
InChIInChI=1S/C16H20N2O2/c1-3-8-18-11-14(5-7-16(18)20)17-10-13-9-12(2)4-6-15(13)19/h4-7,9,11,17,19H,3,8,10H2,1-2H3
InChIKeyCHGJLRUBQYCFCN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds5

About 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one

5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one (PubChem CID 63324996) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
PubChem CID63324996
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2cc(C)ccc2O)ccc1=O
InChIInChI=1S/C16H20N2O2/c1-3-8-18-11-14(5-7-16(18)20)17-10-13-9-12(2)4-6-15(13)19/h4-7,9,11,17,19H,3,8,10H2,1-2H3
InChIKeyCHGJLRUBQYCFCN-UHFFFAOYSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
CID 107737829
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 54864095
1,3-dimethyl-6-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]pyrimidine-2,4-dione
CID 146144159
2-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]benzonitrile
CID 107935934
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
CID 54863781
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one (CID 63324996) is 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2cc(C)ccc2O)ccc1=O.
What is the InChIKey of 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one?
The InChIKey is CHGJLRUBQYCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-18-11-14(5-7-16(18)20)17-10-13-9-12(2)4-6-15(13)19/h4-7,9,11,17,19H,3,8,10H2,1-2H3.
What are the key properties of 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one?
5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 63324996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).