1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile

C22H16N4O3 — CID 135835481

IUPAC1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(Cc2ccco2)c(=O)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C22H16N4O3/c1-14-18(12-23)21(27)26(13-16-8-5-11-29-16)22(28)20(14)25-24-19-10-4-7-15-6-2-3-9-17(15)19/h2-11,27H,13H2,1H3/b25-24+
InChIKeySGPNOTACBQVHIK-OCOZRVBESA-N
MW384.40 g/mol
LogP4.94
Rot. Bonds4

About 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile

1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile (PubChem CID 135835481) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
PubChem CID135835481
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(Cc2ccco2)c(=O)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C22H16N4O3/c1-14-18(12-23)21(27)26(13-16-8-5-11-29-16)22(28)20(14)25-24-19-10-4-7-15-6-2-3-9-17(15)19/h2-11,27H,13H2,1H3/b25-24+
InChIKeySGPNOTACBQVHIK-OCOZRVBESA-N
XLogP4.94
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835287
5-[(3-chlorophenyl)diazenyl]-1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835056
2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835485
1-benzyl-5-[(3-chloro-2-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835615
1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835527
1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835593
5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 4770438
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835195
5-[(2-ethoxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135984275
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797
5-[(2-chlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835171
5-[(2-bromophenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835521

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile (CID 135835481) is 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(Cc2ccco2)c(=O)c1/N=N/c1cccc2ccccc12.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile?
The InChIKey is SGPNOTACBQVHIK-OCOZRVBESA-N. The full InChI is InChI=1S/C22H16N4O3/c1-14-18(12-23)21(27)26(13-16-8-5-11-29-16)22(28)20(14)25-24-19-10-4-7-15-6-2-3-9-17(15)19/h2-11,27H,13H2,1H3/b25-24+.
What are the key properties of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile?
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile has a molecular weight of 384.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).