propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate

C17H28N2O3 — CID 156728225

IUPACpropyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
SMILESCCCOC(=O)C(CC(C)C)n1ccc(CN(C)C)cc1=O
InChIInChI=1S/C17H28N2O3/c1-6-9-22-17(21)15(10-13(2)3)19-8-7-14(11-16(19)20)12-18(4)5/h7-8,11,13,15H,6,9-10,12H2,1-5H3
InChIKeyQCPSNGIDPWXGIS-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.45
Rot. Bonds8

About propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate

propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate (PubChem CID 156728225) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate.

Molecular Properties

Compound Namepropyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
PubChem CID156728225
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Namepropyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
SMILESCCCOC(=O)C(CC(C)C)n1ccc(CN(C)C)cc1=O
InChIInChI=1S/C17H28N2O3/c1-6-9-22-17(21)15(10-13(2)3)19-8-7-14(11-16(19)20)12-18(4)5/h7-8,11,13,15H,6,9-10,12H2,1-5H3
InChIKeyQCPSNGIDPWXGIS-UHFFFAOYSA-N
XLogP2.45
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?
The IUPAC name of propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate (CID 156728225) is propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate.
What is the SMILES notation for propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?
The canonical SMILES for propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate is CCCOC(=O)C(CC(C)C)n1ccc(CN(C)C)cc1=O.
What is the InChIKey of propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?
The InChIKey is QCPSNGIDPWXGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-9-22-17(21)15(10-13(2)3)19-8-7-14(11-16(19)20)12-18(4)5/h7-8,11,13,15H,6,9-10,12H2,1-5H3.
What are the key properties of propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?
propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate has a molecular weight of 308.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate is sourced from PubChem (CID 156728225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).