(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H26N4O3 — CID 95923496

IUPAC(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C17H26N4O3/c1-4-24-17-13(6-5-7-18-17)11-19-16(23)14-10-15(22)21(12-14)9-8-20(2)3/h5-7,14H,4,8-12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyOGTVASBBRLETBX-AWEZNQCLSA-N
MW334.42 g/mol
LogP0.51
Rot. Bonds8

About (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95923496) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95923496
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C17H26N4O3/c1-4-24-17-13(6-5-7-18-17)11-19-16(23)14-10-15(22)21(12-14)9-8-20(2)3/h5-7,14H,4,8-12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyOGTVASBBRLETBX-AWEZNQCLSA-N
XLogP0.51
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923495
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589
(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 94186224
1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97200087
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95923496) is (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1.
What is the InChIKey of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGTVASBBRLETBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-24-17-13(6-5-7-18-17)11-19-16(23)14-10-15(22)21(12-14)9-8-20(2)3/h5-7,14H,4,8-12H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95923496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).