methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

C24H30N4O3 — CID 130201236

IUPACmethyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C24H30N4O3/c1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,30)
InChIKeyXBXOKTSXGRDCPQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.48
Rot. Bonds4

About methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 130201236) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID130201236
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Namemethyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C24H30N4O3/c1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,30)
InChIKeyXBXOKTSXGRDCPQ-UHFFFAOYSA-N
XLogP3.48
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (CID 130201236) is methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.
What is the InChIKey of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is XBXOKTSXGRDCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,30).
What are the key properties of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 130201236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).