4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one

C20H25N5O2 — CID 155877681

IUPAC4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one
SMILESCc1ccnc(N2CCCC3(CCCN(C(=O)c4cc[nH]c(=O)c4)C3)C2)n1
InChIInChI=1S/C20H25N5O2/c1-15-4-8-22-19(23-15)25-11-3-7-20(14-25)6-2-10-24(13-20)18(27)16-5-9-21-17(26)12-16/h4-5,8-9,12H,2-3,6-7,10-11,13-14H2,1H3,(H,21,26)
InChIKeyWYQIGGNSTOGEQG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.00
Rot. Bonds2

About 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one

4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one (PubChem CID 155877681) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one
PubChem CID155877681
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one
SMILESCc1ccnc(N2CCCC3(CCCN(C(=O)c4cc[nH]c(=O)c4)C3)C2)n1
InChIInChI=1S/C20H25N5O2/c1-15-4-8-22-19(23-15)25-11-3-7-20(14-25)6-2-10-24(13-20)18(27)16-5-9-21-17(26)12-16/h4-5,8-9,12H,2-3,6-7,10-11,13-14H2,1H3,(H,21,26)
InChIKeyWYQIGGNSTOGEQG-UHFFFAOYSA-N
XLogP2.00
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155877917
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 103766238
4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
CID 66654021
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131656588
3H-benzimidazol-5-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654404
3H-benzimidazol-5-yl-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398087
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 163314669
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one (CID 155877681) is 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one is Cc1ccnc(N2CCCC3(CCCN(C(=O)c4cc[nH]c(=O)c4)C3)C2)n1.
What is the InChIKey of 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one?
The InChIKey is WYQIGGNSTOGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-4-8-22-19(23-15)25-11-3-7-20(14-25)6-2-10-24(13-20)18(27)16-5-9-21-17(26)12-16/h4-5,8-9,12H,2-3,6-7,10-11,13-14H2,1H3,(H,21,26).
What are the key properties of 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one?
4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane-2-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155877681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).