3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C15H18ClN3O2 — CID 79233332

IUPAC3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)n1)C2=O
InChIInChI=1S/C15H18ClN3O2/c1-10-5-7-15(8-6-10)13(20)19(14(21)18-15)9-11-3-2-4-12(16)17-11/h2-4,10H,5-9H2,1H3,(H,18,21)
InChIKeyQMDFJFHQCBLVHS-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.74
Rot. Bonds2

About 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 79233332) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID79233332
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)n1)C2=O
InChIInChI=1S/C15H18ClN3O2/c1-10-5-7-15(8-6-10)13(20)19(14(21)18-15)9-11-3-2-4-12(16)17-11/h2-4,10H,5-9H2,1H3,(H,18,21)
InChIKeyQMDFJFHQCBLVHS-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 79233332) is 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)n1)C2=O.
What is the InChIKey of 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QMDFJFHQCBLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-5-7-15(8-6-10)13(20)19(14(21)18-15)9-11-3-2-4-12(16)17-11/h2-4,10H,5-9H2,1H3,(H,18,21).
What are the key properties of 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 307.78 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 79233332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).