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

C11H11N3O3 — CID 676922

IUPACN-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide
SMILESCC(=O)/N=C/c1c(C)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C11H11N3O3/c1-6-8(4-12)10(16)14(3)11(17)9(6)5-13-7(2)15/h5,17H,1-3H3/b13-5+
InChIKeyANTYPPGMIXUVPT-WLRTZDKTSA-N
MW233.23 g/mol
LogP0.24
Rot. Bonds1

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

N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide (PubChem CID 676922) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide.

Molecular Properties

Compound NameN-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide
PubChem CID676922
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide
SMILESCC(=O)/N=C/c1c(C)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C11H11N3O3/c1-6-8(4-12)10(16)14(3)11(17)9(6)5-13-7(2)15/h5,17H,1-3H3/b13-5+
InChIKeyANTYPPGMIXUVPT-WLRTZDKTSA-N
XLogP0.24
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide?
The IUPAC name of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide (CID 676922) is N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide.
What is the SMILES notation for N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide?
The canonical SMILES for N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide is CC(=O)/N=C/c1c(C)c(C#N)c(=O)n(C)c1O.
What is the InChIKey of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide?
The InChIKey is ANTYPPGMIXUVPT-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-8(4-12)10(16)14(3)11(17)9(6)5-13-7(2)15/h5,17H,1-3H3/b13-5+.
What are the key properties of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide?
N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]acetamide is sourced from PubChem (CID 676922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).