2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane

C18H24N4 — CID 141455695

IUPAC2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane
SMILESc1cncc(CN2CCC3(CCN(c4cc[nH]c4)CC3)C2)c1
InChIInChI=1S/C18H24N4/c1-2-16(12-19-7-1)14-21-9-4-18(15-21)5-10-22(11-6-18)17-3-8-20-13-17/h1-3,7-8,12-13,20H,4-6,9-11,14-15H2
InChIKeyRKPFROGZAHFLMG-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.90
Rot. Bonds3

About 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane

2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 141455695) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane
PubChem CID141455695
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane
SMILESc1cncc(CN2CCC3(CCN(c4cc[nH]c4)CC3)C2)c1
InChIInChI=1S/C18H24N4/c1-2-16(12-19-7-1)14-21-9-4-18(15-21)5-10-22(11-6-18)17-3-8-20-13-17/h1-3,7-8,12-13,20H,4-6,9-11,14-15H2
InChIKeyRKPFROGZAHFLMG-UHFFFAOYSA-N
XLogP2.90
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824993
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
7-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118745558
2-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171705447
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane (CID 141455695) is 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane is c1cncc(CN2CCC3(CCN(c4cc[nH]c4)CC3)C2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is RKPFROGZAHFLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-16(12-19-7-1)14-21-9-4-18(15-21)5-10-22(11-6-18)17-3-8-20-13-17/h1-3,7-8,12-13,20H,4-6,9-11,14-15H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane?
2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 296.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 141455695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).