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

C11H16N2O3 — CID 10263040

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
SMILESCCC(=O)NCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C11H16N2O3/c1-4-10(15)12-6-8-11(16)9(14)5-7(2)13(8)3/h5,16H,4,6H2,1-3H3,(H,12,15)
InChIKeySBENANDJCBTBOY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.43
Rot. Bonds3

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

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide (PubChem CID 10263040) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
PubChem CID10263040
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
SMILESCCC(=O)NCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C11H16N2O3/c1-4-10(15)12-6-8-11(16)9(14)5-7(2)13(8)3/h5,16H,4,6H2,1-3H3,(H,12,15)
InChIKeySBENANDJCBTBOY-UHFFFAOYSA-N
XLogP0.43
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.43
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]propanamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide (CID 10263040) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide is CCC(=O)NCc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
The InChIKey is SBENANDJCBTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-10(15)12-6-8-11(16)9(14)5-7(2)13(8)3/h5,16H,4,6H2,1-3H3,(H,12,15).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.43, 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]propanamide is sourced from PubChem (CID 10263040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).