5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H25N5O3 — CID 121438036

IUPAC5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cccnc2)[C@@H](C)C1
InChIInChI=1S/C18H25N5O3/c1-12(9-18(3)16(25)20-17(26)21-18)15(24)22-7-8-23(13(2)11-22)14-5-4-6-19-10-14/h4-6,10,12-13H,7-9,11H2,1-3H3,(H2,20,21,25,26)/t12?,13-,18?/m0/s1
InChIKeyUWQOUEMCGCBXIC-XYEKJYRLSA-N
MW359.43 g/mol
LogP0.74
Rot. Bonds4

About 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121438036) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121438036
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cccnc2)[C@@H](C)C1
InChIInChI=1S/C18H25N5O3/c1-12(9-18(3)16(25)20-17(26)21-18)15(24)22-7-8-23(13(2)11-22)14-5-4-6-19-10-14/h4-6,10,12-13H,7-9,11H2,1-3H3,(H2,20,21,25,26)/t12?,13-,18?/m0/s1
InChIKeyUWQOUEMCGCBXIC-XYEKJYRLSA-N
XLogP0.74
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-8-pyridin-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9797246
1-Phenyl-8-pyridin-2-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 24735827
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
3,5-Dimethyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457473
1-Phenyl-8-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 49864795
5-Methyl-5-(4-pyridyl)hydantoin
CID 222702
(2S)-N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-(pyridin-3-ylcarbamoylamino)butanamide
CID 49862193
(2S)-N-[(1S)-1-[4-[[3-(5-amino-3-pyridinyl)azetidine-1-carbonyl]amino]phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide
CID 155513803
1-[(3-Pyridinylamino)methyl]-2,5-pyrrolidinedione
CID 728308
2,4,9-Trimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione
CID 44457461
1-(1-Propionylpiperidin-4-yl)-3-(pyridin-3-yl)urea
CID 49782796
5,5-Dimethyl-3-(pyridin-3-yl)imidazolidine-2,4-dione
CID 119049365

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121438036) is 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cccnc2)[C@@H](C)C1.
What is the InChIKey of 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is UWQOUEMCGCBXIC-XYEKJYRLSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(9-18(3)16(25)20-17(26)21-18)15(24)22-7-8-23(13(2)11-22)14-5-4-6-19-10-14/h4-6,10,12-13H,7-9,11H2,1-3H3,(H2,20,21,25,26)/t12?,13-,18?/m0/s1.
What are the key properties of 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121438036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).