[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone

C18H26N4O2 — CID 97385023

IUPAC[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H26N4O2/c23-17(20-8-3-4-9-20)22-11-12-24-15-18(14-22)6-10-21(13-18)16-5-1-2-7-19-16/h1-2,5,7H,3-4,6,8-15H2/t18-/m0/s1
InChIKeyHDJKCHXAFSAXMZ-SFHVURJKSA-N
MW330.43 g/mol
LogP1.83
Rot. Bonds1

About [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone

[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97385023) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
PubChem CID97385023
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H26N4O2/c23-17(20-8-3-4-9-20)22-11-12-24-15-18(14-22)6-10-21(13-18)16-5-1-2-7-19-16/h1-2,5,7H,3-4,6,8-15H2/t18-/m0/s1
InChIKeyHDJKCHXAFSAXMZ-SFHVURJKSA-N
XLogP1.83
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
pyridin-4-yl-(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
CID 131640073
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
CID 131642549
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134070411
(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155864338
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
morpholin-4-yl-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97449674

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone (CID 97385023) is [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HDJKCHXAFSAXMZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(20-8-3-4-9-20)22-11-12-24-15-18(14-22)6-10-21(13-18)16-5-1-2-7-19-16/h1-2,5,7H,3-4,6,8-15H2/t18-/m0/s1.
What are the key properties of [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone?
[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97385023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).