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

C19H22N4O — CID 134075103

IUPAC2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cccnc2)CCC12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C19H22N4O/c24-18-19(8-12-23(18)17-6-3-9-20-13-17)7-4-11-22(15-19)14-16-5-1-2-10-21-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2
InChIKeyOAXOLYYOXWBLAJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.50
Rot. Bonds3

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

2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 134075103) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID134075103
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cccnc2)CCC12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C19H22N4O/c24-18-19(8-12-23(18)17-6-3-9-20-13-17)7-4-11-22(15-19)14-16-5-1-2-10-21-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2
InChIKeyOAXOLYYOXWBLAJ-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
(6R)-11-pyridin-3-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372839
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
(5R)-6-acetyl-9-pyridin-3-yl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373462
1-pyridin-3-yl-7-(pyridin-2-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 134073217

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 134075103) is 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2cccnc2)CCC12CCCN(Cc1ccccn1)C2.
What is the InChIKey of 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OAXOLYYOXWBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18-19(8-12-23(18)17-6-3-9-20-13-17)7-4-11-22(15-19)14-16-5-1-2-10-21-16/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2.
What are the key properties of 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 322.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 134075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).