pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C21H26N4O — CID 3234006

IUPACpyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C21H26N4O/c26-20(19-3-11-23-12-4-19)25-15-7-21(8-16-25)5-13-24(14-6-21)17-18-1-9-22-10-2-18/h1-4,9-12H,5-8,13-17H2
InChIKeyUYEIDOYVPPSRBY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.99
Rot. Bonds3

About pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 3234006) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID3234006
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Namepyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C21H26N4O/c26-20(19-3-11-23-12-4-19)25-15-7-21(8-16-25)5-13-24(14-6-21)17-18-1-9-22-10-2-18/h1-4,9-12H,5-8,13-17H2
InChIKeyUYEIDOYVPPSRBY-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 3234006) is pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(c1ccncc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1.
What is the InChIKey of pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is UYEIDOYVPPSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(19-3-11-23-12-4-19)25-15-7-21(8-16-25)5-13-24(14-6-21)17-18-1-9-22-10-2-18/h1-4,9-12H,5-8,13-17H2.
What are the key properties of pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 3234006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).