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

C13H19N3O4 — CID 10468916

IUPAC3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C13H19N3O4/c1-8-6-11(18)13(20)10(16(8)3)7-15-12(19)4-5-14-9(2)17/h6,20H,4-5,7H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyNSOASZKFWHZYOU-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.46
Rot. Bonds5

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

3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide (PubChem CID 10468916) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
PubChem CID10468916
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C13H19N3O4/c1-8-6-11(18)13(20)10(16(8)3)7-15-12(19)4-5-14-9(2)17/h6,20H,4-5,7H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyNSOASZKFWHZYOU-UHFFFAOYSA-N
XLogP-0.46
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide (CID 10468916) is 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide is CC(=O)NCCC(=O)NCc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
The InChIKey is NSOASZKFWHZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-6-11(18)13(20)10(16(8)3)7-15-12(19)4-5-14-9(2)17/h6,20H,4-5,7H2,1-3H3,(H,14,17)(H,15,19).
What are the key properties of 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide?
3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide has a molecular weight of 281.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 10468916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).