1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one

C19H19N5O3 — CID 176521668

IUPAC1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(/N=N/c2cc(N=C=C)ccc2O)c(=O)n(CCCC)c1O
InChIInChI=1S/C19H19N5O3/c1-5-7-10-24-18(26)16(20-4)12(3)17(19(24)27)23-22-14-11-13(21-6-2)8-9-15(14)25/h8-9,11,25-26H,2,5,7,10H2,1,3H3/b23-22+
InChIKeyXOPGKTVTPSPCLR-GHVJWSGMSA-N
MW365.39 g/mol
LogP4.82
Rot. Bonds6

About 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one

1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one (PubChem CID 176521668) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one
PubChem CID176521668
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(/N=N/c2cc(N=C=C)ccc2O)c(=O)n(CCCC)c1O
InChIInChI=1S/C19H19N5O3/c1-5-7-10-24-18(26)16(20-4)12(3)17(19(24)27)23-22-14-11-13(21-6-2)8-9-15(14)25/h8-9,11,25-26H,2,5,7,10H2,1,3H3/b23-22+
InChIKeyXOPGKTVTPSPCLR-GHVJWSGMSA-N
XLogP4.82
TPSA103.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one
CID 135608384
1-butyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835426
1-butyl-5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835557
1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835667
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797
1-hexyl-2-hydroxy-4-methyl-5-[(2-methyl-5-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835884
5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835150
1-hexyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835581
5-ethynyl-1-hexyl-6-hydroxy-4-methyl-3-[(4-methylphenyl)diazenyl]pyridin-2-one
CID 170226250
1-hexyl-2-hydroxy-5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135834984
5-[(2-chlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835171
5-[(3-chloro-4-methoxyphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile
CID 135835492

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
The IUPAC name of 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one (CID 176521668) is 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one.
What is the SMILES notation for 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
The canonical SMILES for 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one is [C-]#[N+]c1c(C)c(/N=N/c2cc(N=C=C)ccc2O)c(=O)n(CCCC)c1O.
What is the InChIKey of 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
The InChIKey is XOPGKTVTPSPCLR-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-5-7-10-24-18(26)16(20-4)12(3)17(19(24)27)23-22-14-11-13(21-6-2)8-9-15(14)25/h8-9,11,25-26H,2,5,7,10H2,1,3H3/b23-22+.
What are the key properties of 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one has a molecular weight of 365.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one is sourced from PubChem (CID 176521668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).