2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane

C20H26N4 — CID 131649183

IUPAC2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCCC3(CCN(Cc4ccccn4)C3)C2)nc1
InChIInChI=1S/C20H26N4/c1-3-10-21-18(6-1)14-23-12-5-8-20(16-23)9-13-24(17-20)15-19-7-2-4-11-22-19/h1-4,6-7,10-11H,5,8-9,12-17H2
InChIKeyBPWAAOKHTGOQAN-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.96
Rot. Bonds4

About 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane

2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 131649183) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID131649183
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCCC3(CCN(Cc4ccccn4)C3)C2)nc1
InChIInChI=1S/C20H26N4/c1-3-10-21-18(6-1)14-23-12-5-8-20(16-23)9-13-24(17-20)15-19-7-2-4-11-22-19/h1-4,6-7,10-11H,5,8-9,12-17H2
InChIKeyBPWAAOKHTGOQAN-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
2-(pyridin-2-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171673288
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
9-(2-phenoxyethyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155827464
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 131649183) is 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is c1ccc(CN2CCCC3(CCN(Cc4ccccn4)C3)C2)nc1.
What is the InChIKey of 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is BPWAAOKHTGOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-3-10-21-18(6-1)14-23-12-5-8-20(16-23)9-13-24(17-20)15-19-7-2-4-11-22-19/h1-4,6-7,10-11H,5,8-9,12-17H2.
What are the key properties of 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 322.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131649183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).