7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H29N3O3 — CID 56888151

IUPAC7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3=O)C2)c[nH]1
InChIInChI=1S/C20H29N3O3/c1-14-10-16(24)15(11-21-14)17(25)22-9-7-20(13-22)6-5-8-23(18(20)26)12-19(2,3)4/h10-11H,5-9,12-13H2,1-4H3,(H,21,24)
InChIKeyXDRCATNTQMWXSK-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.18
Rot. Bonds2

About 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56888151) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56888151
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3=O)C2)c[nH]1
InChIInChI=1S/C20H29N3O3/c1-14-10-16(24)15(11-21-14)17(25)22-9-7-20(13-22)6-5-8-23(18(20)26)12-19(2,3)4/h10-11H,5-9,12-13H2,1-4H3,(H,21,24)
InChIKeyXDRCATNTQMWXSK-UHFFFAOYSA-N
XLogP2.18
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

1-[3-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-propyl]-pyrrolidin-2-one
CID 654050
2-[(6-Ethyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72862022
(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97128860
(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97197236
1-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)carbonyl]-N,N,4-trimethylpiperidine-4-carboxamide
CID 118785831
7,7-dimethyl-3-(piperidin-1-ylcarbonyl)-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 17020151
2-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
3-(2,7-diazaspiro[4.5]dec-7-ylcarbonyl)-1-ethyl-4,6-dimethylpyridin-2(1H)-one
CID 56757966
5-{[7-(Cyclobutylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-2-methyl-4-pyridinol
CID 56905879
2-[(2-Hydroxy-5,6,7,8-tetrahydro-3-quinolinyl)carbonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72913106
N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 118772120
2-(3-Oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 122442435

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56888151) is 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)c(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3=O)C2)c[nH]1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XDRCATNTQMWXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-10-16(24)15(11-21-14)17(25)22-9-7-20(13-22)6-5-8-23(18(20)26)12-19(2,3)4/h10-11H,5-9,12-13H2,1-4H3,(H,21,24).
What are the key properties of 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 359.47 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56888151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).