phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C20H23N3O2 — CID 124803332

IUPACphenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccccc1)N1CC[C@]2(C[C@@H](Nc3ccccn3)CCO2)C1
InChIInChI=1S/C20H23N3O2/c24-19(16-6-2-1-3-7-16)23-12-10-20(15-23)14-17(9-13-25-20)22-18-8-4-5-11-21-18/h1-8,11,17H,9-10,12-15H2,(H,21,22)/t17-,20-/m0/s1
InChIKeyYINYSLNCGQYSDO-PXNSSMCTSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds3

About phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 124803332) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID124803332
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namephenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccccc1)N1CC[C@]2(C[C@@H](Nc3ccccn3)CCO2)C1
InChIInChI=1S/C20H23N3O2/c24-19(16-6-2-1-3-7-16)23-12-10-20(15-23)14-17(9-13-25-20)22-18-8-4-5-11-21-18/h1-8,11,17H,9-10,12-15H2,(H,21,22)/t17-,20-/m0/s1
InChIKeyYINYSLNCGQYSDO-PXNSSMCTSA-N
XLogP2.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477782
(3,3-difluorocyclobutyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131690340
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946
(6-methyl-2-pyridinyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693066
pyridazin-4-yl-[(5S,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124792019
3-methylsulfonyl-1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 131690057
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124910174
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486079
N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657
1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 155849075

Frequently Asked Questions

What is the IUPAC name of phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 124803332) is phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is O=C(c1ccccc1)N1CC[C@]2(C[C@@H](Nc3ccccn3)CCO2)C1.
What is the InChIKey of phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is YINYSLNCGQYSDO-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(16-6-2-1-3-7-16)23-12-10-20(15-23)14-17(9-13-25-20)22-18-8-4-5-11-21-18/h1-8,11,17H,9-10,12-15H2,(H,21,22)/t17-,20-/m0/s1.
What are the key properties of phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 124803332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).