(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione

C14H19N3O2 — CID 136580804

IUPAC(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)N(CCc2cccnc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-10(2)12-13(18)17(14(19)16-12)8-6-11-5-4-7-15-9-11/h4-5,7,9-10,12H,3,6,8H2,1-2H3,(H,16,19)/t10-,12-/m0/s1
InChIKeyWAYFCFHBCGYSES-JQWIXIFHSA-N
MW261.32 g/mol
LogP1.59
Rot. Bonds5

About (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione

(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione (PubChem CID 136580804) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
PubChem CID136580804
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)N(CCc2cccnc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-10(2)12-13(18)17(14(19)16-12)8-6-11-5-4-7-15-9-11/h4-5,7,9-10,12H,3,6,8H2,1-2H3,(H,16,19)/t10-,12-/m0/s1
InChIKeyWAYFCFHBCGYSES-JQWIXIFHSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

3-butan-2-yl-1-pyridin-3-yl-1,4-diazepane-2,5-dione
CID 64956259
5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
CID 146103850
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963576
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 60914432
3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione
CID 64970698
3-butan-2-yl-1-(2-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64962427
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881794
3-cyclopropyl-3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963504

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione (CID 136580804) is (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione is CC[C@H](C)[C@@H]1NC(=O)N(CCc2cccnc2)C1=O.
What is the InChIKey of (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
The InChIKey is WAYFCFHBCGYSES-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10(2)12-13(18)17(14(19)16-12)8-6-11-5-4-7-15-9-11/h4-5,7,9-10,12H,3,6,8H2,1-2H3,(H,16,19)/t10-,12-/m0/s1.
What are the key properties of (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 136580804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).