N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid

C20H23F3N4O3 — CID 155835589

IUPACN-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(NC2COC3(CCN(c4cccnc4)CC3)C2)nc1
InChIInChI=1S/C18H22N4O.C2HF3O2/c1-2-9-20-17(5-1)21-15-12-18(23-14-15)6-10-22(11-7-18)16-4-3-8-19-13-16;3-2(4,5)1(6)7/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21);(H,6,7)
InChIKeyOBZACSFAGBMFOX-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.35
Rot. Bonds3

About N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid

N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 155835589) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
PubChem CID155835589
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(NC2COC3(CCN(c4cccnc4)CC3)C2)nc1
InChIInChI=1S/C18H22N4O.C2HF3O2/c1-2-9-20-17(5-1)21-15-12-18(23-14-15)6-10-22(11-7-18)16-4-3-8-19-13-16;3-2(4,5)1(6)7/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21);(H,6,7)
InChIKeyOBZACSFAGBMFOX-UHFFFAOYSA-N
XLogP3.35
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[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
7-(pyridin-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171689944
N-(3-fluoro-2-pyridinyl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171696681
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
(1-fluorocyclobutyl)-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131686187
(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
6-[[7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile;tris(2,2,2-trifluoroacetic acid)
CID 155838095
9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155869467
(3R,5R)-7-cyclopropylsulfonyl-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394531
N-methyl-N-(pyridin-3-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155828216
6-[[9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile;tris(2,2,2-trifluoroacetic acid)
CID 155824721

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid (CID 155835589) is N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(NC2COC3(CCN(c4cccnc4)CC3)C2)nc1.
What is the InChIKey of N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OBZACSFAGBMFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.C2HF3O2/c1-2-9-20-17(5-1)21-15-12-18(23-14-15)6-10-22(11-7-18)16-4-3-8-19-13-16;3-2(4,5)1(6)7/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21);(H,6,7).
What are the key properties of N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 424.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).