(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate

C17H25N3O3 — CID 86777162

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
SMILESCCCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cn1
InChIInChI=1S/C17H25N3O3/c1-3-9-19(4-2)15-8-7-14(12-18-15)17(22)23-13-16(21)20-10-5-6-11-20/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKeyFTHMFIPDRJCROO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.10
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate (PubChem CID 86777162) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
PubChem CID86777162
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
SMILESCCCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cn1
InChIInChI=1S/C17H25N3O3/c1-3-9-19(4-2)15-8-7-14(12-18-15)17(22)23-13-16(21)20-10-5-6-11-20/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKeyFTHMFIPDRJCROO-UHFFFAOYSA-N
XLogP2.10
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
CID 145271189
[2-(azetidin-1-yl)-2-oxoethyl] 4-methylbenzoate;butane
CID 145271247
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
N-(2-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119628032
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2387369
(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
CID 75388003
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(diethylamino)benzoate
CID 9203260
6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
[2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 23935201

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate (CID 86777162) is (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate is CCCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cn1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate?
The InChIKey is FTHMFIPDRJCROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-9-19(4-2)15-8-7-14(12-18-15)17(22)23-13-16(21)20-10-5-6-11-20/h7-8,12H,3-6,9-11,13H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 86777162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).