(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

C18H23N7O2 — CID 95210694

IUPAC(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCCn1ncnc1CN1CCC([C@]2(c3cccnc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H23N7O2/c1-2-25-15(20-12-21-25)11-24-8-5-13(6-9-24)18(14-4-3-7-19-10-14)16(26)22-17(27)23-18/h3-4,7,10,12-13H,2,5-6,8-9,11H2,1H3,(H2,22,23,26,27)/t18-/m1/s1
InChIKeyVOGWQKSDUKVMLC-GOSISDBHSA-N
MW369.43 g/mol
LogP0.64
Rot. Bonds5

About (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 95210694) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID95210694
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCCn1ncnc1CN1CCC([C@]2(c3cccnc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H23N7O2/c1-2-25-15(20-12-21-25)11-24-8-5-13(6-9-24)18(14-4-3-7-19-10-14)16(26)22-17(27)23-18/h3-4,7,10,12-13H,2,5-6,8-9,11H2,1H3,(H2,22,23,26,27)/t18-/m1/s1
InChIKeyVOGWQKSDUKVMLC-GOSISDBHSA-N
XLogP0.64
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 95210694) is (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione is CCn1ncnc1CN1CCC([C@]2(c3cccnc3)NC(=O)NC2=O)CC1.
What is the InChIKey of (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is VOGWQKSDUKVMLC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-2-25-15(20-12-21-25)11-24-8-5-13(6-9-24)18(14-4-3-7-19-10-14)16(26)22-17(27)23-18/h3-4,7,10,12-13H,2,5-6,8-9,11H2,1H3,(H2,22,23,26,27)/t18-/m1/s1.
What are the key properties of (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95210694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).