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

C34H56N4O6 — CID 175781285

IUPAC2-[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
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C)cc1=O.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN(C)C
InChIInChI=1S/C18H30N2O3.C16H26N2O3/c1-7-23-18(22)16(10-13(2)3)20-12-15(8-9-19(5)6)14(4)11-17(20)21;1-11(2)8-14(16(20)21)18-10-13(6-7-17(4)5)12(3)9-15(18)19/h11-13,16H,7-10H2,1-6H3;9-11,14H,6-8H2,1-5H3,(H,20,21)
InChIKeyFYMZHKOJPGOYAU-UHFFFAOYSA-N
MW616.84 g/mol
LogP4.34
Rot. Bonds15

About 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

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 (PubChem CID 175781285) has the molecular formula C34H56N4O6 and a molecular weight of 616.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID175781285
Molecular FormulaC34H56N4O6
Molecular Weight616.84 g/mol
Exact Mass616.42
IUPAC Name2-[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
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C)cc1=O.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN(C)C
InChIInChI=1S/C18H30N2O3.C16H26N2O3/c1-7-23-18(22)16(10-13(2)3)20-12-15(8-9-19(5)6)14(4)11-17(20)21;1-11(2)8-14(16(20)21)18-10-13(6-7-17(4)5)12(3)9-15(18)19/h11-13,16H,7-10H2,1-6H3;9-11,14H,6-8H2,1-5H3,(H,20,21)
InChIKeyFYMZHKOJPGOYAU-UHFFFAOYSA-N
XLogP4.34
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 159489843
2-[4-butyl-5-[2-(dimethylamino)ethyl]-2-oxo-3-phosphanyl-1-pyridinyl]-4-methylpentanoic acid;ethane
CID 156728526
2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl (3S)-3-amino-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]propanoate;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;methane
CID 158573503
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;ethyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate;ethyl 4-methyl-2-methylsulfonyloxypentanoate
CID 167587341
lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide
CID 157124916
(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
ethyl 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 139579791
2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588053
ethyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-3-methylpentanoate
CID 175326903

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C)cc1=O.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN(C)C.
What is the InChIKey of 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?
The InChIKey is FYMZHKOJPGOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3.C16H26N2O3/c1-7-23-18(22)16(10-13(2)3)20-12-15(8-9-19(5)6)14(4)11-17(20)21;1-11(2)8-14(16(20)21)18-10-13(6-7-17(4)5)12(3)9-15(18)19/h11-13,16H,7-10H2,1-6H3;9-11,14H,6-8H2,1-5H3,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 616.84 g/mol, XLogP of 4.34, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175781285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).