methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate

C19H27N3O4 — CID 70771539

IUPACmethyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC3(CCC(=O)N(CCCO)C3)C2)nc1
InChIInChI=1S/C19H27N3O4/c1-26-18(25)15-4-5-16(20-12-15)21-9-2-7-19(13-21)8-6-17(24)22(14-19)10-3-11-23/h4-5,12,23H,2-3,6-11,13-14H2,1H3
InChIKeyWDFWMGAJYRUHFP-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.46
Rot. Bonds5

About methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate

methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate (PubChem CID 70771539) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
PubChem CID70771539
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC3(CCC(=O)N(CCCO)C3)C2)nc1
InChIInChI=1S/C19H27N3O4/c1-26-18(25)15-4-5-16(20-12-15)21-9-2-7-19(13-21)8-6-17(24)22(14-19)10-3-11-23/h4-5,12,23H,2-3,6-11,13-14H2,1H3
InChIKeyWDFWMGAJYRUHFP-UHFFFAOYSA-N
XLogP1.46
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid
CID 72841401
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
(6R)-2-(3-hydroxypropyl)-8-[4-methyl-6-(methylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579032
(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579498
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
methyl 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyridine-3-carboxylate
CID 164688341
2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715563
2-(3-hydroxypropyl)-9-[2-(methylamino)pyrimidine-5-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72925522

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate (CID 70771539) is methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCCC3(CCC(=O)N(CCCO)C3)C2)nc1.
What is the InChIKey of methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate?
The InChIKey is WDFWMGAJYRUHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-26-18(25)15-4-5-16(20-12-15)21-9-2-7-19(13-21)8-6-17(24)22(14-19)10-3-11-23/h4-5,12,23H,2-3,6-11,13-14H2,1H3.
What are the key properties of methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate?
methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate is sourced from PubChem (CID 70771539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).