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

Furan-2-carboxylic acid [1-(naphthalen-1-ylcarbamoylmethyl)-piperidin-4-yl]-amide
CID 3220890
N-[(furan-2-yl)methyl]-N'-(2-methylnaphthalen-1-yl)ethanediamide
CID 126500407
2-[furan-2-ylmethyl(naphthalen-1-ylmethyl)amino]-N-phenylacetamide
CID 156786213
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide
CID 156786214
2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide
CID 156786218
2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]-N-(2-methylphenyl)acetamide
CID 156786223
2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide
CID 156786224
2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-1-ylacetamide
CID 156786226
2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 156786227
4-(furan-2-carbonyl)-3H-benzo[f]quinoline-3-carbonitrile
CID 466863
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 2404713
2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60469656

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).