pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C18H20N4O2 — CID 97394513

IUPACpyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1
InChIInChI=1S/C18H20N4O2/c23-17(14-3-1-6-19-10-14)22-8-5-18(13-22)9-16(12-24-18)21-15-4-2-7-20-11-15/h1-4,6-7,10-11,16,21H,5,8-9,12-13H2/t16-,18-/m0/s1
InChIKeyYDBQQEIMGZHBSM-WMZOPIPTSA-N
MW324.38 g/mol
LogP1.96
Rot. Bonds3

About pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97394513) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97394513
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Namepyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1
InChIInChI=1S/C18H20N4O2/c23-17(14-3-1-6-19-10-14)22-8-5-18(13-22)9-16(12-24-18)21-15-4-2-7-20-11-15/h1-4,6-7,10-11,16,21H,5,8-9,12-13H2/t16-,18-/m0/s1
InChIKeyYDBQQEIMGZHBSM-WMZOPIPTSA-N
XLogP1.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-yl-[(3S,5R)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394514
[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155857322
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
(1-methylpyrrol-2-yl)-[3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856649
[(3S,5R)-3-(3-fluoroanilino)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97489170
N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
CID 155856822
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486953

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97394513) is pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1.
What is the InChIKey of pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is YDBQQEIMGZHBSM-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(14-3-1-6-19-10-14)22-8-5-18(13-22)9-16(12-24-18)21-15-4-2-7-20-11-15/h1-4,6-7,10-11,16,21H,5,8-9,12-13H2/t16-,18-/m0/s1.
What are the key properties of pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97394513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).