(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C16H21N5O4 — CID 129475615

IUPAC(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN(C)c1ncccc1O[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1
InChIInChI=1S/C16H21N5O4/c1-20(2)14-12(4-3-6-17-14)25-10-5-7-21(9-10)13(22)8-11-15(23)19-16(24)18-11/h3-4,6,10-11H,5,7-9H2,1-2H3,(H2,18,19,23,24)/t10-,11+/m1/s1
InChIKeyOZCXICXWWIHMFP-MNOVXSKESA-N
MW347.38 g/mol
LogP-0.27
Rot. Bonds5

About (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 129475615) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID129475615
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN(C)c1ncccc1O[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1
InChIInChI=1S/C16H21N5O4/c1-20(2)14-12(4-3-6-17-14)25-10-5-7-21(9-10)13(22)8-11-15(23)19-16(24)18-11/h3-4,6,10-11H,5,7-9H2,1-2H3,(H2,18,19,23,24)/t10-,11+/m1/s1
InChIKeyOZCXICXWWIHMFP-MNOVXSKESA-N
XLogP-0.27
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone
CID 128993625
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 128965314
2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 128967651
1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 129475491
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 128992413
2-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 128967014
1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-3-[(3R)-oxolan-3-yl]propan-1-one
CID 129331719
(5R)-5-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129474182
3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129476096
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088
1-[3-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 128965218

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 129475615) is (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1.
What is the InChIKey of (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is OZCXICXWWIHMFP-MNOVXSKESA-N. The full InChI is InChI=1S/C16H21N5O4/c1-20(2)14-12(4-3-6-17-14)25-10-5-7-21(9-10)13(22)8-11-15(23)19-16(24)18-11/h3-4,6,10-11H,5,7-9H2,1-2H3,(H2,18,19,23,24)/t10-,11+/m1/s1.
What are the key properties of (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129475615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).