5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one

C15H25N3O2 — CID 71153804

IUPAC5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one
SMILESC=Nc1c(C)c(N)c(O)n(CC(CC)CCCC)c1=O
InChIInChI=1S/C15H25N3O2/c1-5-7-8-11(6-2)9-18-14(19)12(16)10(3)13(17-4)15(18)20/h11,19H,4-9,16H2,1-3H3
InChIKeyBNRFVVKEQFZITK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.99
Rot. Bonds7

About 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one

5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one (PubChem CID 71153804) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one
PubChem CID71153804
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one
SMILESC=Nc1c(C)c(N)c(O)n(CC(CC)CCCC)c1=O
InChIInChI=1S/C15H25N3O2/c1-5-7-8-11(6-2)9-18-14(19)12(16)10(3)13(17-4)15(18)20/h11,19H,4-9,16H2,1-3H3
InChIKeyBNRFVVKEQFZITK-UHFFFAOYSA-N
XLogP2.99
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dichlorophenyl)diazenyl]-1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 137162031
2-(2-ethylhexyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90949798
5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione
CID 63800980
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 67693947
5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
CID 63800991
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
(1R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25141463
(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide
CID 20502394
7-(2-ethylhexyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817678
carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)
CID 157423273
1-(2-ethylhexyl)-2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile;1-ethyl-2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxopyridine-3-carboxamide
CID 158436888

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one (CID 71153804) is 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one is C=Nc1c(C)c(N)c(O)n(CC(CC)CCCC)c1=O.
What is the InChIKey of 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one?
The InChIKey is BNRFVVKEQFZITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-7-8-11(6-2)9-18-14(19)12(16)10(3)13(17-4)15(18)20/h11,19H,4-9,16H2,1-3H3.
What are the key properties of 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one?
5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one has a molecular weight of 279.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one is sourced from PubChem (CID 71153804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).