2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C19H25F3N4O3 — CID 171834347

IUPAC2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CCC2(CC1)CCN(C(=O)c1cncc(O)c1)C2)NCC(F)(F)F
InChIInChI=1S/C19H25F3N4O3/c20-19(21,22)11-25-16(28)10-24-14-1-3-18(4-2-14)5-6-26(12-18)17(29)13-7-15(27)9-23-8-13/h7-9,14,24,27H,1-6,10-12H2,(H,25,28)
InChIKeyWMYSIJZACQALKF-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.83
Rot. Bonds5

About 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 171834347) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID171834347
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CCC2(CC1)CCN(C(=O)c1cncc(O)c1)C2)NCC(F)(F)F
InChIInChI=1S/C19H25F3N4O3/c20-19(21,22)11-25-16(28)10-24-14-1-3-18(4-2-14)5-6-26(12-18)17(29)13-7-15(27)9-23-8-13/h7-9,14,24,27H,1-6,10-12H2,(H,25,28)
InChIKeyWMYSIJZACQALKF-UHFFFAOYSA-N
XLogP1.83
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 171834347) is 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1CCC2(CC1)CCN(C(=O)c1cncc(O)c1)C2)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WMYSIJZACQALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c20-19(21,22)11-25-16(28)10-24-14-1-3-18(4-2-14)5-6-26(12-18)17(29)13-7-15(27)9-23-8-13/h7-9,14,24,27H,1-6,10-12H2,(H,25,28).
What are the key properties of 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 414.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-hydroxypyridine-3-carbonyl)-2-azaspiro[4.5]decan-8-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 171834347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).