2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid

C15H24N2O3 — CID 159489843

IUPAC2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CN(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)6-13(15(19)20)17-9-12(8-16(4)5)11(3)7-14(17)18/h7,9-10,13H,6,8H2,1-5H3,(H,19,20)
InChIKeyXIUUSSQDWBMQHZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid

2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 159489843) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID159489843
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CN(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)6-13(15(19)20)17-9-12(8-16(4)5)11(3)7-14(17)18/h7,9-10,13H,6,8H2,1-5H3,(H,19,20)
InChIKeyXIUUSSQDWBMQHZ-UHFFFAOYSA-N
XLogP1.89
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781285
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
CID 159653011
2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid
CID 175087963
(2R)-2-bromo-4-methylpentanoic acid;(2S)-2-(4,5-dimethyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid;4,5-dimethyl-1H-pyridin-2-one;methane
CID 158678513
2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588053
2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 82217822
2-[4-butyl-5-[2-(dimethylamino)ethyl]-2-oxo-3-phosphanyl-1-pyridinyl]-4-methylpentanoic acid;ethane
CID 156728526
2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781214
2-[4-methyl-1-(6-methyl-2-oxoheptan-3-yl)-6-oxo-3-pyridinyl]acetaldehyde
CID 156728777
(2R)-2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[3-(2,6-dimethylphenyl)phenyl]-3-oxobutyl]-4-methylpentanamide
CID 157200640
2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
CID 82146642

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 159489843) is 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid is Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CN(C)C.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is XIUUSSQDWBMQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)6-13(15(19)20)17-9-12(8-16(4)5)11(3)7-14(17)18/h7,9-10,13H,6,8H2,1-5H3,(H,19,20).
What are the key properties of 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 159489843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).