2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide

C14H11N5O3 — CID 137062042

IUPAC2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
SMILESCc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccccc1C(N)=O
InChIInChI=1S/C14H11N5O3/c1-7-9(6-15)13(21)17-14(22)11(7)19-18-10-5-3-2-4-8(10)12(16)20/h2-5H,1H3,(H2,16,20)(H2,17,21,22)/b19-18+
InChIKeyIIRRWYJWFSEXJC-VHEBQXMUSA-N
MW297.27 g/mol
LogP1.77
Rot. Bonds3

About 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide

2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide (PubChem CID 137062042) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide.

Molecular Properties

Compound Name2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
PubChem CID137062042
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
SMILESCc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccccc1C(N)=O
InChIInChI=1S/C14H11N5O3/c1-7-9(6-15)13(21)17-14(22)11(7)19-18-10-5-3-2-4-8(10)12(16)20/h2-5H,1H3,(H2,16,20)(H2,17,21,22)/b19-18+
InChIKeyIIRRWYJWFSEXJC-VHEBQXMUSA-N
XLogP1.77
TPSA144.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid
CID 2025368
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane
CID 159881339
N,N-bis(3-amino-2-ethylhexyl)-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
CID 137128380
5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136677013
3-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-1H-1,2,4-triazole-5-carboxylic acid
CID 135733671
2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile
CID 135755700
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
5-[(2-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835401
N-(3-bromopropyl)-4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
CID 137198638
2-phenyldiazenylbenzamide
CID 3752866
5-[(2-benzoylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135836049
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide?
The IUPAC name of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide (CID 137062042) is 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide.
What is the SMILES notation for 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide?
The canonical SMILES for 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide is Cc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccccc1C(N)=O.
What is the InChIKey of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide?
The InChIKey is IIRRWYJWFSEXJC-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-7-9(6-15)13(21)17-14(22)11(7)19-18-10-5-3-2-4-8(10)12(16)20/h2-5H,1H3,(H2,16,20)(H2,17,21,22)/b19-18+.
What are the key properties of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide?
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide has a molecular weight of 297.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide is sourced from PubChem (CID 137062042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).