1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile

C18H19N5O4 — CID 135835667

IUPAC1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc([N+](=O)[O-])cc2C)c1=O
InChIInChI=1S/C18H19N5O4/c1-4-5-8-22-17(24)14(10-19)12(3)16(18(22)25)21-20-15-7-6-13(23(26)27)9-11(15)2/h6-7,9,24H,4-5,8H2,1-3H3/b21-20+
InChIKeyREFBURHAUOOMJE-QZQOTICOSA-N
MW369.38 g/mol
LogP4.17
Rot. Bonds6

About 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile

1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile (PubChem CID 135835667) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
PubChem CID135835667
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc([N+](=O)[O-])cc2C)c1=O
InChIInChI=1S/C18H19N5O4/c1-4-5-8-22-17(24)14(10-19)12(3)16(18(22)25)21-20-15-7-6-13(23(26)27)9-11(15)2/h6-7,9,24H,4-5,8H2,1-3H3/b21-20+
InChIKeyREFBURHAUOOMJE-QZQOTICOSA-N
XLogP4.17
TPSA133.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-2-hydroxy-4-methyl-5-[(2-methyl-5-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835884
1-butyl-2-hydroxy-4-methyl-5-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 136814986
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835241
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835249
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835239
1-butyl-5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835557
5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835150
2-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835093
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797
5-[(2-chloro-4-nitrophenyl)diazenyl]-2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835942
1-butyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835426
oxiran-2-ylmethyl 2-[[5-cyano-1-[2-(2-ethylhexanoyloxy)ethyl]-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-5-nitrobenzoate
CID 163918222

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile (CID 135835667) is 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile is CCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc([N+](=O)[O-])cc2C)c1=O.
What is the InChIKey of 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
The InChIKey is REFBURHAUOOMJE-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-4-5-8-22-17(24)14(10-19)12(3)16(18(22)25)21-20-15-7-6-13(23(26)27)9-11(15)2/h6-7,9,24H,4-5,8H2,1-3H3/b21-20+.
What are the key properties of 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile has a molecular weight of 369.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).