(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one

C18H21N5O — CID 97490113

IUPAC(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CC[C@]12CCCN(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/t18-/m0/s1
InChIKeyDAWYMLZNTQNYDW-SFHVURJKSA-N
MW323.40 g/mol
LogP1.89
Rot. Bonds3

About (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490113) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490113
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CC[C@]12CCCN(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/t18-/m0/s1
InChIKeyDAWYMLZNTQNYDW-SFHVURJKSA-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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Related Compounds

2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119058655
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075078
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one (CID 97490113) is (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccnc2)CC[C@]12CCCN(c1ncccn1)C2.
What is the InChIKey of (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DAWYMLZNTQNYDW-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
(5S)-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 (5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).