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

C11H13N3O3 — CID 21264878

IUPACN-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide
SMILESCC(=O)NCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C11H13N3O3/c1-7-5-10(16)14(4-3-13-8(2)15)11(17)9(7)6-12/h5,17H,3-4H2,1-2H3,(H,13,15)
InChIKeyVNZXSGXWIWTWLO-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.13
Rot. Bonds3

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

N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide (PubChem CID 21264878) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide
PubChem CID21264878
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide
SMILESCC(=O)NCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C11H13N3O3/c1-7-5-10(16)14(4-3-13-8(2)15)11(17)9(7)6-12/h5,17H,3-4H2,1-2H3,(H,13,15)
InChIKeyVNZXSGXWIWTWLO-UHFFFAOYSA-N
XLogP-0.13
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide (CID 21264878) is N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide is CC(=O)NCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide?
The InChIKey is VNZXSGXWIWTWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-5-10(16)14(4-3-13-8(2)15)11(17)9(7)6-12/h5,17H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide?
N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 21264878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).