N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide

C12H18N2O3 — CID 10331765

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide
SMILESCc1cc(=O)c(O)c(CNC(=O)C(C)C)n1C
InChIInChI=1S/C12H18N2O3/c1-7(2)12(17)13-6-9-11(16)10(15)5-8(3)14(9)4/h5,7,16H,6H2,1-4H3,(H,13,17)
InChIKeyBOMJNMNLLPJGQR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds3

About N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide (PubChem CID 10331765) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide
PubChem CID10331765
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide
SMILESCc1cc(=O)c(O)c(CNC(=O)C(C)C)n1C
InChIInChI=1S/C12H18N2O3/c1-7(2)12(17)13-6-9-11(16)10(15)5-8(3)14(9)4/h5,7,16H,6H2,1-4H3,(H,13,17)
InChIKeyBOMJNMNLLPJGQR-UHFFFAOYSA-N
XLogP0.67
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide (CID 10331765) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide is Cc1cc(=O)c(O)c(CNC(=O)C(C)C)n1C.
What is the InChIKey of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide?
The InChIKey is BOMJNMNLLPJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)12(17)13-6-9-11(16)10(15)5-8(3)14(9)4/h5,7,16H,6H2,1-4H3,(H,13,17).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 10331765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).