1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one

C18H24N2O3 — CID 155679765

IUPAC1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
SMILESCC(C)C(N)Cn1cc(OCc2ccccc2)c(=O)cc1CO
InChIInChI=1S/C18H24N2O3/c1-13(2)16(19)9-20-10-18(17(22)8-15(20)11-21)23-12-14-6-4-3-5-7-14/h3-8,10,13,16,21H,9,11-12,19H2,1-2H3
InChIKeyYFRSJZYXJLFNLS-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.90
Rot. Bonds7

About 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one

1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one (PubChem CID 155679765) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
PubChem CID155679765
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
SMILESCC(C)C(N)Cn1cc(OCc2ccccc2)c(=O)cc1CO
InChIInChI=1S/C18H24N2O3/c1-13(2)16(19)9-20-10-18(17(22)8-15(20)11-21)23-12-14-6-4-3-5-7-14/h3-8,10,13,16,21H,9,11-12,19H2,1-2H3
InChIKeyYFRSJZYXJLFNLS-UHFFFAOYSA-N
XLogP1.90
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
CID 140931594
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 56761874
2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853831
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 53369854
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
CID 53367991
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
2-(difluoromethyl)-1-ethyl-5-phenylmethoxypyridin-4-one;2-(difluoromethyl)-5-phenylmethoxypyran-4-one
CID 160655836
(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide
CID 66898272
N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
CID 167438212
sodium 2-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetate
CID 23681837
2-[2-methyl-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 16852935

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one?
The IUPAC name of 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one (CID 155679765) is 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one is CC(C)C(N)Cn1cc(OCc2ccccc2)c(=O)cc1CO.
What is the InChIKey of 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one?
The InChIKey is YFRSJZYXJLFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)16(19)9-20-10-18(17(22)8-15(20)11-21)23-12-14-6-4-3-5-7-14/h3-8,10,13,16,21H,9,11-12,19H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one?
1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one has a molecular weight of 316.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one is sourced from PubChem (CID 155679765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).