pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone

C19H23N5O2 — CID 97399493

IUPACpyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C19H23N5O2/c25-17(16-3-1-6-20-13-16)23-9-4-19(5-10-23)14-24(11-12-26-15-19)18-21-7-2-8-22-18/h1-3,6-8,13H,4-5,9-12,14-15H2
InChIKeyKDAMVNIQPWAXLN-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.63
Rot. Bonds2

About pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone

pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone (PubChem CID 97399493) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
PubChem CID97399493
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Namepyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C19H23N5O2/c25-17(16-3-1-6-20-13-16)23-9-4-19(5-10-23)14-24(11-12-26-15-19)18-21-7-2-8-22-18/h1-3,6-8,13H,4-5,9-12,14-15H2
InChIKeyKDAMVNIQPWAXLN-UHFFFAOYSA-N
XLogP1.63
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
The IUPAC name of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone (CID 97399493) is pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
The canonical SMILES for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone is O=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2.
What is the InChIKey of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
The InChIKey is KDAMVNIQPWAXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(16-3-1-6-20-13-16)23-9-4-19(5-10-23)14-24(11-12-26-15-19)18-21-7-2-8-22-18/h1-3,6-8,13H,4-5,9-12,14-15H2.
What are the key properties of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone is sourced from PubChem (CID 97399493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).