3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid

C15H23NO3 — CID 79884843

IUPAC3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid
SMILESCc1cc(=O)cc(C)n1CC(CC(=O)O)CC(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)5-13(8-15(18)19)9-16-11(3)6-14(17)7-12(16)4/h6-7,10,13H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyBWGILILCXDQBME-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.60
Rot. Bonds6

About 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid

3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid (PubChem CID 79884843) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid
PubChem CID79884843
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid
SMILESCc1cc(=O)cc(C)n1CC(CC(=O)O)CC(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)5-13(8-15(18)19)9-16-11(3)6-14(17)7-12(16)4/h6-7,10,13H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyBWGILILCXDQBME-UHFFFAOYSA-N
XLogP2.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid with MolForge

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid
CID 79884478
3-[(2,5-dimethylpyrrol-1-yl)methyl]pentanoic acid
CID 81065461
2-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]butanoic acid
CID 79885968
5-methyl-3-[(3-oxo-1,2-benzothiazol-2-yl)methyl]hexanoic acid
CID 81435128
3-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-5-methylhexanoic acid
CID 103979342
(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid
CID 124516998
(3S)-3-(2-methylpropyl)-5-oxohexanoic acid;(3R)-3-(2-methylpropyl)-5-oxohexanoic acid;3-(2-methylpropyl)pentanedioic acid
CID 161158229
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
CID 108795013
(2S)-2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
CID 108795045
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
5-methyl-3-[(1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]hexanoic acid
CID 83091003

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid (CID 79884843) is 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid is Cc1cc(=O)cc(C)n1CC(CC(=O)O)CC(C)C.
What is the InChIKey of 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid?
The InChIKey is BWGILILCXDQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)5-13(8-15(18)19)9-16-11(3)6-14(17)7-12(16)4/h6-7,10,13H,5,8-9H2,1-4H3,(H,18,19).
What are the key properties of 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid?
3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]-5-methylhexanoic acid is sourced from PubChem (CID 79884843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).