N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide

C17H15N3O3 — CID 3520955

IUPACN-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide
SMILESCC(=O)/N=C/c1c(C)c(C#N)c(=O)n(Cc2ccccc2)c1O
InChIInChI=1S/C17H15N3O3/c1-11-14(8-18)16(22)20(10-13-6-4-3-5-7-13)17(23)15(11)9-19-12(2)21/h3-7,9,23H,10H2,1-2H3/b19-9+
InChIKeyPEJHFSVRTYGPAJ-DJKKODMXSA-N
MW309.33 g/mol
LogP1.75
Rot. Bonds3

About N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide

N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide (PubChem CID 3520955) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide
PubChem CID3520955
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide
SMILESCC(=O)/N=C/c1c(C)c(C#N)c(=O)n(Cc2ccccc2)c1O
InChIInChI=1S/C17H15N3O3/c1-11-14(8-18)16(22)20(10-13-6-4-3-5-7-13)17(23)15(11)9-19-12(2)21/h3-7,9,23H,10H2,1-2H3/b19-9+
InChIKeyPEJHFSVRTYGPAJ-DJKKODMXSA-N
XLogP1.75
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]urea
CID 4688077
1-benzyl-6-hydroxy-4-methyl-2-oxo-5-[(2,4,6-trichlorophenyl)iminomethyl]pyridine-3-carbonitrile
CID 4155677
5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669282
6-hydroxy-4-methyl-2-oxo-5-(phenyliminomethyl)-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 135669029
1-benzyl-5-[(2,6-dibromo-4-nitrophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669304
4-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]-N-(4-bromophenyl)benzenesulfonamide
CID 4185910
5-[(4-ethylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135669241
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 979339
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 135669051
5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135668801
1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
CID 50887179
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide?
The IUPAC name of N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide (CID 3520955) is N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide.
What is the SMILES notation for N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide?
The canonical SMILES for N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide is CC(=O)/N=C/c1c(C)c(C#N)c(=O)n(Cc2ccccc2)c1O.
What is the InChIKey of N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide?
The InChIKey is PEJHFSVRTYGPAJ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-14(8-18)16(22)20(10-13-6-4-3-5-7-13)17(23)15(11)9-19-12(2)21/h3-7,9,23H,10H2,1-2H3/b19-9+.
What are the key properties of N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide?
N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide is sourced from PubChem (CID 3520955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).