2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid

C15H24N2O4 — CID 82217822

IUPAC2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCc1cc(=O)c(O)c(CN(C)C)n1C(CC(C)C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-9(2)6-11(15(20)21)17-10(3)7-13(18)14(19)12(17)8-16(4)5/h7,9,11,19H,6,8H2,1-5H3,(H,20,21)
InChIKeyCULXLSYUOPUWPY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.60
Rot. Bonds6

About 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid

2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 82217822) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID82217822
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCc1cc(=O)c(O)c(CN(C)C)n1C(CC(C)C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-9(2)6-11(15(20)21)17-10(3)7-13(18)14(19)12(17)8-16(4)5/h7,9,11,19H,6,8H2,1-5H3,(H,20,21)
InChIKeyCULXLSYUOPUWPY-UHFFFAOYSA-N
XLogP1.60
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid
CID 79884478
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217447
1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 70805278
1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217833
1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
CID 82217132
2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 159489843
2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217904
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
CID 82217696
2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217841
2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217638
1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217692

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 82217822) is 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid is Cc1cc(=O)c(O)c(CN(C)C)n1C(CC(C)C)C(=O)O.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is CULXLSYUOPUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)6-11(15(20)21)17-10(3)7-13(18)14(19)12(17)8-16(4)5/h7,9,11,19H,6,8H2,1-5H3,(H,20,21).
What are the key properties of 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 82217822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).