[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone

C17H24N4O — CID 97392828

IUPAC[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C17H24N4O/c22-16(20-7-1-2-8-20)21-13-17(14-21)5-9-19(12-17)11-15-4-3-6-18-10-15/h3-4,6,10H,1-2,5,7-9,11-14H2
InChIKeyIXFPUQSAYWAMRK-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.81
Rot. Bonds2

About [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone

[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97392828) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97392828
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C17H24N4O/c22-16(20-7-1-2-8-20)21-13-17(14-21)5-9-19(12-17)11-15-4-3-6-18-10-15/h3-4,6,10H,1-2,5,7-9,11-14H2
InChIKeyIXFPUQSAYWAMRK-UHFFFAOYSA-N
XLogP1.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
(3,5-dimethoxyphenyl)-[(5R)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95208822
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
7-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118745558
(5R)-13-(pyridin-3-ylmethyl)-9-(pyrrolidine-1-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360383
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824993
7-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155854192
(1,3-dimethylpyrazol-4-yl)-[8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155876999
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981

Frequently Asked Questions

What is the IUPAC name of [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone (CID 97392828) is [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CC2(CCN(Cc3cccnc3)C2)C1.
What is the InChIKey of [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IXFPUQSAYWAMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-16(20-7-1-2-8-20)21-13-17(14-21)5-9-19(12-17)11-15-4-3-6-18-10-15/h3-4,6,10H,1-2,5,7-9,11-14H2.
What are the key properties of [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone?
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 300.41 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97392828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).