8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

C19H23N5O2 — CID 139580302

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccnc2)nc1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C19H23N5O2/c25-17(24-7-3-19(14-24)4-8-26-9-5-19)16-12-22-18(23-13-16)21-11-15-2-1-6-20-10-15/h1-2,6,10,12-13H,3-5,7-9,11,14H2,(H,21,22,23)
InChIKeyRGWBXUGFKIKCDU-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.13
Rot. Bonds4

About 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580302) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580302
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccnc2)nc1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C19H23N5O2/c25-17(24-7-3-19(14-24)4-8-26-9-5-19)16-12-22-18(23-13-16)21-11-15-2-1-6-20-10-15/h1-2,6,10,12-13H,3-5,7-9,11,14H2,(H,21,22,23)
InChIKeyRGWBXUGFKIKCDU-UHFFFAOYSA-N
XLogP2.13
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

PF-4840154
CID 53380803
N-[[6-(2-pyrimidin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621333
N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162657336
N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162667795
4-(Cyclopentylamino)-N-[3-(2-Oxopyrrolidin-1-Yl)propyl]-2-{[2-(Pyridin-4-Yl)ethyl]amino}pyrimidine-5-Carboxamide
CID 71552535
N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
CID 166633067
N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
CID 166633115
8-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 18919373
US10906888, Example 7
CID 139580410
US10906888, Example 17
CID 146186424
US10906888, Example 140
CID 134177538
US10906888, Example 177
CID 139580312

Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580302) is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cccnc2)nc1)N1CCC2(CCOCC2)C1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is RGWBXUGFKIKCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(24-7-3-19(14-24)4-8-26-9-5-19)16-12-22-18(23-13-16)21-11-15-2-1-6-20-10-15/h1-2,6,10,12-13H,3-5,7-9,11,14H2,(H,21,22,23).
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).