propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate

C19H29F3N2O3 — CID 153352909

IUPACpropyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate
SMILESCCCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C19H29F3N2O3/c1-6-9-27-18(26)16(10-13(2)3)24-12-14(7-8-23(4)5)15(11-17(24)25)19(20,21)22/h11-13,16H,6-10H2,1-5H3
InChIKeyODDFJINMAFZRQF-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.51
Rot. Bonds9

About propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate

propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate (PubChem CID 153352909) has the molecular formula C19H29F3N2O3 and a molecular weight of 390.45 g/mol. Its IUPAC name is propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate.

Molecular Properties

Compound Namepropyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate
PubChem CID153352909
Molecular FormulaC19H29F3N2O3
Molecular Weight390.45 g/mol
Exact Mass390.21
IUPAC Namepropyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate
SMILESCCCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C19H29F3N2O3/c1-6-9-27-18(26)16(10-13(2)3)24-12-14(7-8-23(4)5)15(11-17(24)25)19(20,21)22/h11-13,16H,6-10H2,1-5H3
InChIKeyODDFJINMAFZRQF-UHFFFAOYSA-N
XLogP3.51
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate?
The IUPAC name of propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate (CID 153352909) is propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate.
What is the SMILES notation for propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate?
The canonical SMILES for propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate is CCCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O.
What is the InChIKey of propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate?
The InChIKey is ODDFJINMAFZRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N2O3/c1-6-9-27-18(26)16(10-13(2)3)24-12-14(7-8-23(4)5)15(11-17(24)25)19(20,21)22/h11-13,16H,6-10H2,1-5H3.
What are the key properties of propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate?
propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate has a molecular weight of 390.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate is sourced from PubChem (CID 153352909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).