5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C19H23N5O4S — CID 68877429

IUPAC5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCN(C)c1cc(C#CC2=CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)ccn1
InChIInChI=1S/C19H23N5O4S/c1-19(17(25)21-18(26)22-19)13-29(27,28)24-10-7-14(8-11-24)4-5-15-6-9-20-16(12-15)23(2)3/h6-7,9,12H,8,10-11,13H2,1-3H3,(H2,21,22,25,26)
InChIKeyPZKUNWNXYWOPOV-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.06
Rot. Bonds4

About 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 68877429) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID68877429
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCN(C)c1cc(C#CC2=CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)ccn1
InChIInChI=1S/C19H23N5O4S/c1-19(17(25)21-18(26)22-19)13-29(27,28)24-10-7-14(8-11-24)4-5-15-6-9-20-16(12-15)23(2)3/h6-7,9,12H,8,10-11,13H2,1-3H3,(H2,21,22,25,26)
InChIKeyPZKUNWNXYWOPOV-UHFFFAOYSA-N
XLogP0.06
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 11553220
(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794396
(5S)-5-methyl-5-[[4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 67351634
5-methyl-5-[[4-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 68876824
(5S)-5-[[4-[2-(4-chlorophenyl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;(5S)-5-methyl-5-[[4-[2-(4-methylphenyl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione;(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 160879627
(5S)-5-methyl-5-[[4-[2-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 25171835
6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23133627
(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
CID 87512350
5-[[4-[(5-bromo-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133436
5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133575
4-[1-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperidin-4-yl]oxybenzonitrile
CID 69288611
1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
CID 69288109

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 68877429) is 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is CN(C)c1cc(C#CC2=CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)ccn1.
What is the InChIKey of 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PZKUNWNXYWOPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-19(17(25)21-18(26)22-19)13-29(27,28)24-10-7-14(8-11-24)4-5-15-6-9-20-16(12-15)23(2)3/h6-7,9,12H,8,10-11,13H2,1-3H3,(H2,21,22,25,26).
What are the key properties of 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 417.49 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 68877429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).