5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one

C14H16N2O3 — CID 54864095

IUPAC5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2ccc(O)cc2O)ccc1=O
InChIInChI=1S/C14H16N2O3/c1-2-16-9-11(4-6-14(16)19)15-8-10-3-5-12(17)7-13(10)18/h3-7,9,15,17-18H,2,8H2,1H3
InChIKeyYTXCKHDBBYHZGP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.89
Rot. Bonds4

About 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one

5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one (PubChem CID 54864095) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
PubChem CID54864095
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2ccc(O)cc2O)ccc1=O
InChIInChI=1S/C14H16N2O3/c1-2-16-9-11(4-6-14(16)19)15-8-10-3-5-12(17)7-13(10)18/h3-7,9,15,17-18H,2,8H2,1H3
InChIKeyYTXCKHDBBYHZGP-UHFFFAOYSA-N
XLogP1.89
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 60944031
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 104663834
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 63324996
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 79579074
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
CID 107737829
1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
CID 104503884
4-ethylbenzene-1,3-diol
CID 17927
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one (CID 54864095) is 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one is CCn1cc(NCc2ccc(O)cc2O)ccc1=O.
What is the InChIKey of 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is YTXCKHDBBYHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-16-9-11(4-6-14(16)19)15-8-10-3-5-12(17)7-13(10)18/h3-7,9,15,17-18H,2,8H2,1H3.
What are the key properties of 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one?
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 54864095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).