8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

C19H21N5O2 — CID 131688476

IUPAC8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1cncnc1)C2=O
InChIInChI=1S/C19H21N5O2/c25-17(11-15-3-1-2-7-22-15)23-8-4-19(5-9-23)6-10-24(18(19)26)16-12-20-14-21-13-16/h1-3,7,12-14H,4-6,8-11H2
InChIKeyJJROCEKIZJSOJF-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.46
Rot. Bonds3

About 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131688476) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131688476
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1cncnc1)C2=O
InChIInChI=1S/C19H21N5O2/c25-17(11-15-3-1-2-7-22-15)23-8-4-19(5-9-23)6-10-24(18(19)26)16-12-20-14-21-13-16/h1-3,7,12-14H,4-6,8-11H2
InChIKeyJJROCEKIZJSOJF-UHFFFAOYSA-N
XLogP1.46
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97371992
9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118746385
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449899
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
8-[2-(1-hydroxycyclobutyl)acetyl]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690170
1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398774
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (CID 131688476) is 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is O=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1cncnc1)C2=O.
What is the InChIKey of 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JJROCEKIZJSOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17(11-15-3-1-2-7-22-15)23-8-4-19(5-9-23)6-10-24(18(19)26)16-12-20-14-21-13-16/h1-3,7,12-14H,4-6,8-11H2.
What are the key properties of 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 351.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131688476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).