methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate

C21H29N3O3 — CID 143229607

IUPACmethyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)nc1
InChIInChI=1S/C21H29N3O3/c1-27-19(25)16-8-9-18(22-14-16)23-12-5-10-21(15-23)11-13-24(20(21)26)17-6-3-2-4-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3
InChIKeyQZVAXDIFMXBSDM-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.02
Rot. Bonds3

About methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate

methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate (PubChem CID 143229607) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
PubChem CID143229607
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Namemethyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)nc1
InChIInChI=1S/C21H29N3O3/c1-27-19(25)16-8-9-18(22-14-16)23-12-5-10-21(15-23)11-13-24(20(21)26)17-6-3-2-4-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3
InChIKeyQZVAXDIFMXBSDM-UHFFFAOYSA-N
XLogP3.02
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
methyl 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyridine-3-carboxylate
CID 164688341
(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653425
[6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid
CID 66722246
(5R)-9-(5-chloro-2-pyridinyl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653470
tert-butyl N-[4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]carbamate
CID 58653338
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate
CID 91017405
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
methyl N-[4-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 76677805
6-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-N-methylpyridine-2-carboxamide
CID 72885425

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate (CID 143229607) is methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)nc1.
What is the InChIKey of methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate?
The InChIKey is QZVAXDIFMXBSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-19(25)16-8-9-18(22-14-16)23-12-5-10-21(15-23)11-13-24(20(21)26)17-6-3-2-4-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3.
What are the key properties of methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate?
methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate is sourced from PubChem (CID 143229607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).