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

C12H15N3O3 — CID 20801700

IUPACN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCNC(C)=O)c1=O
InChIInChI=1S/C12H15N3O3/c1-7-8(2)11(17)15(6-5-14-9(3)16)12(18)10(7)13-4/h17H,5-6H2,1-3H3,(H,14,16)
InChIKeyORCRJBILFYXJMI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.86
Rot. Bonds3

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

N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide (PubChem CID 20801700) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
PubChem CID20801700
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCNC(C)=O)c1=O
InChIInChI=1S/C12H15N3O3/c1-7-8(2)11(17)15(6-5-14-9(3)16)12(18)10(7)13-4/h17H,5-6H2,1-3H3,(H,14,16)
InChIKeyORCRJBILFYXJMI-UHFFFAOYSA-N
XLogP0.86
TPSA75.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinecarbonitrile, 5-amino-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 15538525
2-Hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile
CID 20541690
N-[2-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20541698
2-[2,3,4-Trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid
CID 20709858
6-Hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801688
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide
CID 20801699
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
CID 20801701
N-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 21264878
3-Amino-1-ethyl-4,5,6-trimethylpyridin-2-one
CID 22093028
1-(2-Aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one
CID 23338583
6-Hydroxy-4,5-dimethyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 23338619
3-Amino-1,4,5,6-tetramethylpyridin-2-one
CID 23382240

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide (CID 20801700) is N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide is [C-]#[N+]c1c(C)c(C)c(O)n(CCNC(C)=O)c1=O.
What is the InChIKey of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide?
The InChIKey is ORCRJBILFYXJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-8(2)11(17)15(6-5-14-9(3)16)12(18)10(7)13-4/h17H,5-6H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide?
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 20801700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).