[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone

C19H22N4O2 — CID 125017858

IUPAC[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2
InChIInChI=1S/C19H22N4O2/c24-18(17-3-1-2-6-22-17)23-9-4-19(5-10-23)12-16(25-14-19)11-15-13-20-7-8-21-15/h1-3,6-8,13,16H,4-5,9-12,14H2/t16-/m0/s1
InChIKeyXKHXSEFABVEKOO-INIZCTEOSA-N
MW338.41 g/mol
LogP2.13
Rot. Bonds3

About [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone

[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone (PubChem CID 125017858) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
PubChem CID125017858
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2
InChIInChI=1S/C19H22N4O2/c24-18(17-3-1-2-6-22-17)23-9-4-19(5-10-23)12-16(25-14-19)11-15-13-20-7-8-21-15/h1-3,6-8,13,16H,4-5,9-12,14H2/t16-/m0/s1
InChIKeyXKHXSEFABVEKOO-INIZCTEOSA-N
XLogP2.13
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124978485
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 125015393
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
CID 97490740
[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 124980291
[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 175655804
furan-3-yl-[(3R)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418404
(3S)-8-[(3-methylimidazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960859

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone (CID 125017858) is [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2.
What is the InChIKey of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The InChIKey is XKHXSEFABVEKOO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(17-3-1-2-6-22-17)23-9-4-19(5-10-23)12-16(25-14-19)11-15-13-20-7-8-21-15/h1-3,6-8,13,16H,4-5,9-12,14H2/t16-/m0/s1.
What are the key properties of [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 125017858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).