2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one

C18H21N5O — CID 118746487

IUPAC2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CCC12CCCN(c1ncccn1)C2
InChIInChI=1S/C18H21N5O/c24-16-18(6-11-22(16)13-15-4-1-7-19-12-15)5-2-10-23(14-18)17-20-8-3-9-21-17/h1,3-4,7-9,12H,2,5-6,10-11,13-14H2
InChIKeyDAWYMLZNTQNYDW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.89
Rot. Bonds3

About 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one

2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118746487) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118746487
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CCC12CCCN(c1ncccn1)C2
InChIInChI=1S/C18H21N5O/c24-16-18(6-11-22(16)13-15-4-1-7-19-12-15)5-2-10-23(14-18)17-20-8-3-9-21-17/h1,3-4,7-9,12H,2,5-6,10-11,13-14H2
InChIKeyDAWYMLZNTQNYDW-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118746487) is 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccnc2)CCC12CCCN(c1ncccn1)C2.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DAWYMLZNTQNYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-16-18(6-11-22(16)13-15-4-1-7-19-12-15)5-2-10-23(14-18)17-20-8-3-9-21-17/h1,3-4,7-9,12H,2,5-6,10-11,13-14H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 323.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118746487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).