(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione

C13H15N3O2 — CID 99779502

IUPAC(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccncc2)C(=O)N1C1CCC1
InChIInChI=1S/C13H15N3O2/c1-9-12(17)16(11-5-7-14-8-6-11)13(18)15(9)10-3-2-4-10/h5-10H,2-4H2,1H3/t9-/m0/s1
InChIKeyXXAQYEXXAWJFKC-VIFPVBQESA-N
MW245.28 g/mol
LogP1.79
Rot. Bonds2

About (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione

(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione (PubChem CID 99779502) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
PubChem CID99779502
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccncc2)C(=O)N1C1CCC1
InChIInChI=1S/C13H15N3O2/c1-9-12(17)16(11-5-7-14-8-6-11)13(18)15(9)10-3-2-4-10/h5-10H,2-4H2,1H3/t9-/m0/s1
InChIKeyXXAQYEXXAWJFKC-VIFPVBQESA-N
XLogP1.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 86820034
3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione
CID 154780871
4-(2,5-dimethylpyrrolidin-1-yl)pyridine
CID 57275656
(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121412212
6-bromo-4-cyclobutyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 175371087
4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine
CID 153432442
(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one
CID 118618081
(5S)-1-cyclopropyl-5-methyl-3-(5-methyl-1H-indol-6-yl)imidazolidine-2,4-dione
CID 164638238
3-pyridin-4-yl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 141369312
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
(3aS,7aR)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9280439
3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane
CID 122269072

Frequently Asked Questions

What is the IUPAC name of (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione (CID 99779502) is (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccncc2)C(=O)N1C1CCC1.
What is the InChIKey of (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione?
The InChIKey is XXAQYEXXAWJFKC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-12(17)16(11-5-7-14-8-6-11)13(18)15(9)10-3-2-4-10/h5-10H,2-4H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione?
(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 99779502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).