3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid

C14H20N2O5 — CID 65492478

IUPAC3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1cc(O)[nH]c(=O)c1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-8(2)3-9(4-13(19)20)7-15-14(21)10-5-11(17)16-12(18)6-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,21)(H,19,20)(H2,16,17,18)
InChIKeyNUDLQHDEGMHLNS-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.95
Rot. Bonds7

About 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid

3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65492478) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65492478
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1cc(O)[nH]c(=O)c1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-8(2)3-9(4-13(19)20)7-15-14(21)10-5-11(17)16-12(18)6-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,21)(H,19,20)(H2,16,17,18)
InChIKeyNUDLQHDEGMHLNS-UHFFFAOYSA-N
XLogP0.95
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid (CID 65492478) is 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)c1cc(O)[nH]c(=O)c1)CC(=O)O.
What is the InChIKey of 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is NUDLQHDEGMHLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8(2)3-9(4-13(19)20)7-15-14(21)10-5-11(17)16-12(18)6-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,21)(H,19,20)(H2,16,17,18).
What are the key properties of 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65492478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).