8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide

C20H26ClF3N4O2 — CID 1478853

IUPAC8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2
InChIInChI=1S/C20H26ClF3N4O2/c21-16-12-14(20(22,23)24)13-25-17(16)27-8-6-19(7-9-27)28(10-11-30-19)18(29)26-15-4-2-1-3-5-15/h12-13,15H,1-11H2,(H,26,29)
InChIKeyLXCBKZWUBFTYKW-UHFFFAOYSA-N
MW446.90 g/mol
LogP4.42
Rot. Bonds2

About 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide

8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide (PubChem CID 1478853) has the molecular formula C20H26ClF3N4O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
PubChem CID1478853
Molecular FormulaC20H26ClF3N4O2
Molecular Weight446.90 g/mol
Exact Mass446.17
IUPAC Name8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2
InChIInChI=1S/C20H26ClF3N4O2/c21-16-12-14(20(22,23)24)13-25-17(16)27-8-6-19(7-9-27)28(10-11-30-19)18(29)26-15-4-2-1-3-5-15/h12-13,15H,1-11H2,(H,26,29)
InChIKeyLXCBKZWUBFTYKW-UHFFFAOYSA-N
XLogP4.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide (CID 1478853) is 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2.
What is the InChIKey of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide?
The InChIKey is LXCBKZWUBFTYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClF3N4O2/c21-16-12-14(20(22,23)24)13-25-17(16)27-8-6-19(7-9-27)28(10-11-30-19)18(29)26-15-4-2-1-3-5-15/h12-13,15H,1-11H2,(H,26,29).
What are the key properties of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide?
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 1478853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).