7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

C18H21N5O2 — CID 139580342

IUPAC7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccnc2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C18H21N5O2/c24-16(23-12-18(13-23)3-6-25-7-4-18)15-10-21-17(22-11-15)20-9-14-2-1-5-19-8-14/h1-2,5,8,10-11H,3-4,6-7,9,12-13H2,(H,20,21,22)
InChIKeyHGFYDXNANOGLNF-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.74
Rot. Bonds4

About 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580342) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580342
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccnc2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C18H21N5O2/c24-16(23-12-18(13-23)3-6-25-7-4-18)15-10-21-17(22-11-15)20-9-14-2-1-5-19-8-14/h1-2,5,8,10-11H,3-4,6-7,9,12-13H2,(H,20,21,22)
InChIKeyHGFYDXNANOGLNF-UHFFFAOYSA-N
XLogP1.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

US10906888, Example 1
CID 139580302
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
N-(2-methylpropyl)-4-(2-phenylethylamino)-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
CID 45488742
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
N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 57381424
N-hydroxy-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 57382290
US10906888, Example 7
CID 139580410
US10906888, Example 17
CID 146186424
N-[3-[[2-(prop-2-enoylamino)acetyl]amino]propyl]-4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
CID 90052167
N-[3-[[2-[[(E)-4-(dimethylamino)but-2-enoyl]amino]acetyl]amino]propyl]-4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
CID 90052635

Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580342) is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cccnc2)nc1)N1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is HGFYDXNANOGLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(23-12-18(13-23)3-6-25-7-4-18)15-10-21-17(22-11-15)20-9-14-2-1-5-19-8-14/h1-2,5,8,10-11H,3-4,6-7,9,12-13H2,(H,20,21,22).
What are the key properties of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).