2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid

C17H28N2O4 — CID 82218841

IUPAC2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)CCCC
InChIInChI=1S/C17H28N2O4/c1-4-6-8-14(17(22)23)19-12-16(21)15(20)10-13(19)11-18(3)9-7-5-2/h10,12,14,21H,4-9,11H2,1-3H3,(H,22,23)
InChIKeyZFCRLLIRNDQJQT-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.60
Rot. Bonds10

About 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid

2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid (PubChem CID 82218841) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
PubChem CID82218841
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)CCCC
InChIInChI=1S/C17H28N2O4/c1-4-6-8-14(17(22)23)19-12-16(21)15(20)10-13(19)11-18(3)9-7-5-2/h10,12,14,21H,4-9,11H2,1-3H3,(H,22,23)
InChIKeyZFCRLLIRNDQJQT-UHFFFAOYSA-N
XLogP2.60
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The IUPAC name of 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid (CID 82218841) is 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid.
What is the SMILES notation for 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The canonical SMILES for 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid is CCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)CCCC.
What is the InChIKey of 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The InChIKey is ZFCRLLIRNDQJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-4-6-8-14(17(22)23)19-12-16(21)15(20)10-13(19)11-18(3)9-7-5-2/h10,12,14,21H,4-9,11H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid has a molecular weight of 324.42 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid is sourced from PubChem (CID 82218841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).