1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C21H25N5O2 — CID 164692870

IUPAC1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(CCc1cnccn1)N1CCCC12CCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C21H25N5O2/c27-19(7-6-17-15-22-11-12-24-17)26-14-4-9-21(26)8-3-13-25(20(21)28)16-18-5-1-2-10-23-18/h1-2,5,10-12,15H,3-4,6-9,13-14,16H2
InChIKeyRBWYDBGRENQSMF-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.99
Rot. Bonds5

About 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 164692870) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID164692870
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(CCc1cnccn1)N1CCCC12CCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C21H25N5O2/c27-19(7-6-17-15-22-11-12-24-17)26-14-4-9-21(26)8-3-13-25(20(21)28)16-18-5-1-2-10-23-18/h1-2,5,10-12,15H,3-4,6-9,13-14,16H2
InChIKeyRBWYDBGRENQSMF-UHFFFAOYSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015414
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311205
1-(2-methyl-1,3-thiazole-4-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627802
1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313841
1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626574
1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634959
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
CID 114289996
(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117487
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 164692870) is 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(CCc1cnccn1)N1CCCC12CCCN(Cc1ccccn1)C2=O.
What is the InChIKey of 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is RBWYDBGRENQSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-19(7-6-17-15-22-11-12-24-17)26-14-4-9-21(26)8-3-13-25(20(21)28)16-18-5-1-2-10-23-18/h1-2,5,10-12,15H,3-4,6-9,13-14,16H2.
What are the key properties of 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 379.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 164692870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).