3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C15H18ClN3O2 — CID 51129751

IUPAC3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1ccnc(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c16-12-9-11(5-8-17-12)10-19-13(20)15(18-14(19)21)6-3-1-2-4-7-15/h5,8-9H,1-4,6-7,10H2,(H,18,21)
InChIKeyGFQATFVIJAGVCW-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.88
Rot. Bonds2

About 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 51129751) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID51129751
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1ccnc(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c16-12-9-11(5-8-17-12)10-19-13(20)15(18-14(19)21)6-3-1-2-4-7-15/h5,8-9H,1-4,6-7,10H2,(H,18,21)
InChIKeyGFQATFVIJAGVCW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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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Related Compounds

3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
1-[(2-chloro-4-pyridinyl)methyl]azepane-2,7-dione
CID 55075648
3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166229412
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 136532201
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79765365
3-[[6-(methylamino)-3-pyridinyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207122

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 51129751) is 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1Cc1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is GFQATFVIJAGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-9-11(5-8-17-12)10-19-13(20)15(18-14(19)21)6-3-1-2-4-7-15/h5,8-9H,1-4,6-7,10H2,(H,18,21).
What are the key properties of 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 307.78 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 51129751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).