6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

C21H16N2O3 — CID 19115657

IUPAC6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C(=O)c2cccc3ccccc23)c(C)c(C#N)c1=O
InChIInChI=1S/C21H16N2O3/c1-3-11-23-20(25)17(12-22)13(2)18(21(23)26)19(24)16-10-6-8-14-7-4-5-9-15(14)16/h3-10,26H,1,11H2,2H3
InChIKeyIADVNJVKFNGIRB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.30
Rot. Bonds4

About 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (PubChem CID 19115657) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
PubChem CID19115657
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C(=O)c2cccc3ccccc23)c(C)c(C#N)c1=O
InChIInChI=1S/C21H16N2O3/c1-3-11-23-20(25)17(12-22)13(2)18(21(23)26)19(24)16-10-6-8-14-7-4-5-9-15(14)16/h3-10,26H,1,11H2,2H3
InChIKeyIADVNJVKFNGIRB-UHFFFAOYSA-N
XLogP3.30
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-benzoyl-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115599
5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115624
5-(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115706
6-hydroxy-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]-1-prop-2-enylpyridine-3-carbonitrile
CID 50884981
6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116806
6-hydroxy-4-methyl-1-(2-methylpropyl)-5-(2-nitrobenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116038
6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19114939
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115289
5-[(3-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135835050
1-benzyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116759
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116003
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117747

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (CID 19115657) is 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is C=CCn1c(O)c(C(=O)c2cccc3ccccc23)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The InChIKey is IADVNJVKFNGIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-3-11-23-20(25)17(12-22)13(2)18(21(23)26)19(24)16-10-6-8-14-7-4-5-9-15(14)16/h3-10,26H,1,11H2,2H3.
What are the key properties of 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is sourced from PubChem (CID 19115657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).