2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one

C17H22N2O4 — CID 91840718

IUPAC2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCCN(Cc1cc(=O)c(OC)c[nH]1)CC(O)c1cccc(O)c1
InChIInChI=1S/C17H22N2O4/c1-3-19(10-13-8-15(21)17(23-2)9-18-13)11-16(22)12-5-4-6-14(20)7-12/h4-9,16,20,22H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyFXOWUQIVPXMXAQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.64
Rot. Bonds7

About 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one

2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 91840718) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one
PubChem CID91840718
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCCN(Cc1cc(=O)c(OC)c[nH]1)CC(O)c1cccc(O)c1
InChIInChI=1S/C17H22N2O4/c1-3-19(10-13-8-15(21)17(23-2)9-18-13)11-16(22)12-5-4-6-14(20)7-12/h4-9,16,20,22H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyFXOWUQIVPXMXAQ-UHFFFAOYSA-N
XLogP1.64
TPSA85.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-2,5-dioxo-1,2,5,6-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56751766
N-ethyl-N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 97913324
2-[[3-(Dimethylamino)propylamino]methyl]-1-[(4-hydroxyphenyl)methyl]-5-octadecoxypyridin-4-one
CID 14749981
N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide
CID 21474362
2-[[3-(Dimethylamino)propylamino]methyl]-1-[(4-hydroxyphenyl)methyl]-5-octadecoxypyridin-4-one;dihydrochloride
CID 21651938
N-(2-hydroxyethyl)-2-[3-hydroxy-2-[(2-hydroxyphenyl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 69700429
N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxopyridin-1(2H)-yl)acetamide
CID 74239995
2-{[4-(3-Hydroxyphenyl)-1-piperidinyl]carbonyl}-5-methoxy-4-pyridinol
CID 74245468
3-(2-{ethyl[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino}ethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91831009
2-({Ethyl[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino}methyl)-3,5-dimethyl-4-pyridinol
CID 91841638
2-[(Dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one
CID 94957791
5-Hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one
CID 94959517

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one (CID 91840718) is 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one is CCN(Cc1cc(=O)c(OC)c[nH]1)CC(O)c1cccc(O)c1.
What is the InChIKey of 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is FXOWUQIVPXMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-19(10-13-8-15(21)17(23-2)9-18-13)11-16(22)12-5-4-6-14(20)7-12/h4-9,16,20,22H,3,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one?
2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 318.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 91840718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).