ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid

C20H34N2O3 — CID 156728432

IUPACethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
SMILESCC.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CCCC1
InChIInChI=1S/C18H28N2O3.C2H6/c1-13(2)10-16(18(22)23)20-12-15(14(3)11-17(20)21)6-9-19-7-4-5-8-19;1-2/h11-13,16H,4-10H2,1-3H3,(H,22,23);1-2H3
InChIKeyILPOSFMCGMJIFQ-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.49
Rot. Bonds7

About ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid

ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid (PubChem CID 156728432) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Nameethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
PubChem CID156728432
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nameethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
SMILESCC.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CCCC1
InChIInChI=1S/C18H28N2O3.C2H6/c1-13(2)10-16(18(22)23)20-12-15(14(3)11-17(20)21)6-9-19-7-4-5-8-19;1-2/h11-13,16H,4-10H2,1-3H3,(H,22,23);1-2H3
InChIKeyILPOSFMCGMJIFQ-UHFFFAOYSA-N
XLogP3.49
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid with MolForge

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Related Compounds

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
(2S)-2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984601
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
(3S)-6-[5-[3-(azetidin-1-yl)propyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2,6-difluoro-3-methyl-5-(2,4,6-trimethylphenyl)phenyl]-8-methyl-5-oxononanoic acid
CID 164956480
(2S)-2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-methyl-2-oxopyrimidin-1-yl]-4-methylpentanoic acid
CID 169085177
(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2,6-difluoro-3-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2,6-difluoro-3-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)phenyl]-8-methyl-5-oxononanoate;sulfane
CID 164986775
CID 165064782
CID 165064782
ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(3-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate
CID 160965938
(3R)-3-[[2-[5-[2-(azetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoyl]amino]-3-[2-fluoro-5-(3-fluoro-2,4,6-trimethylphenyl)-3-methylphenyl]-3-hydroxypropanoic acid
CID 174014213
3-[[2-[5-[2-(azetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-ethynyl-2,6-difluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]propanoic acid
CID 176789460
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
CID 146182789

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid?
The IUPAC name of ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid (CID 156728432) is ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid.
What is the SMILES notation for ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid?
The canonical SMILES for ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid is CC.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CCCC1.
What is the InChIKey of ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid?
The InChIKey is ILPOSFMCGMJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.C2H6/c1-13(2)10-16(18(22)23)20-12-15(14(3)11-17(20)21)6-9-19-7-4-5-8-19;1-2/h11-13,16H,4-10H2,1-3H3,(H,22,23);1-2H3.
What are the key properties of ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid?
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid has a molecular weight of 350.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 156728432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).