2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C17H21N3O4 — CID 167818734

IUPAC2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CC(C)(O)C(=O)NCc1cccc(CO)n1
InChIInChI=1S/C17H21N3O4/c1-12-5-3-8-15(22)20(12)11-17(2,24)16(23)18-9-13-6-4-7-14(10-21)19-13/h3-8,21,24H,9-11H2,1-2H3,(H,18,23)
InChIKeyLVPFNJAIZAMVOC-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.11
Rot. Bonds6

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

2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 167818734) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID167818734
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CC(C)(O)C(=O)NCc1cccc(CO)n1
InChIInChI=1S/C17H21N3O4/c1-12-5-3-8-15(22)20(12)11-17(2,24)16(23)18-9-13-6-4-7-14(10-21)19-13/h3-8,21,24H,9-11H2,1-2H3,(H,18,23)
InChIKeyLVPFNJAIZAMVOC-UHFFFAOYSA-N
XLogP0.11
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 167818734) is 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1cccc(=O)n1CC(C)(O)C(=O)NCc1cccc(CO)n1.
What is the InChIKey of 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is LVPFNJAIZAMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-5-3-8-15(22)20(12)11-17(2,24)16(23)18-9-13-6-4-7-14(10-21)19-13/h3-8,21,24H,9-11H2,1-2H3,(H,18,23).
What are the key properties of 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 167818734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).