pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C21H26N4O — CID 3233051

IUPACpyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1
InChIInChI=1S/C21H26N4O/c26-20(19-4-11-23-12-5-19)25-14-7-21(8-15-25)6-1-13-24(17-21)16-18-2-9-22-10-3-18/h2-5,9-12H,1,6-8,13-17H2
InChIKeyAPWYTNYQRZXKSW-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.99
Rot. Bonds3

About pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3233051) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3233051
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Namepyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1
InChIInChI=1S/C21H26N4O/c26-20(19-4-11-23-12-5-19)25-14-7-21(8-15-25)6-1-13-24(17-21)16-18-2-9-22-10-3-18/h2-5,9-12H,1,6-8,13-17H2
InChIKeyAPWYTNYQRZXKSW-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-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3233051) is pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1.
What is the InChIKey of pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is APWYTNYQRZXKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(19-4-11-23-12-5-19)25-14-7-21(8-15-25)6-1-13-24(17-21)16-18-2-9-22-10-3-18/h2-5,9-12H,1,6-8,13-17H2.
What are the key properties of pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
pyridin-4-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-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-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3233051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).