N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide

C26H25F3N4O2 — CID 57391077

IUPACN-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC2(CC1)CC(c1cccc(Oc3ccc(C(F)(F)F)cn3)c1)C2
InChIInChI=1S/C26H25F3N4O2/c27-26(28,29)20-6-7-23(31-16-20)35-22-5-1-3-18(13-22)19-14-25(15-19)8-11-33(12-9-25)24(34)32-21-4-2-10-30-17-21/h1-7,10,13,16-17,19H,8-9,11-12,14-15H2,(H,32,34)
InChIKeyFQQMFWDFWHPWDY-UHFFFAOYSA-N
MW482.51 g/mol
LogP6.48
Rot. Bonds4

About N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide

N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 57391077) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID57391077
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC NameN-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC2(CC1)CC(c1cccc(Oc3ccc(C(F)(F)F)cn3)c1)C2
InChIInChI=1S/C26H25F3N4O2/c27-26(28,29)20-6-7-23(31-16-20)35-22-5-1-3-18(13-22)19-14-25(15-19)8-11-33(12-9-25)24(34)32-21-4-2-10-30-17-21/h1-7,10,13,16-17,19H,8-9,11-12,14-15H2,(H,32,34)
InChIKeyFQQMFWDFWHPWDY-UHFFFAOYSA-N
XLogP6.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide (CID 57391077) is N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide is O=C(Nc1cccnc1)N1CCC2(CC1)CC(c1cccc(Oc3ccc(C(F)(F)F)cn3)c1)C2.
What is the InChIKey of N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is FQQMFWDFWHPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c27-26(28,29)20-6-7-23(31-16-20)35-22-5-1-3-18(13-22)19-14-25(15-19)8-11-33(12-9-25)24(34)32-21-4-2-10-30-17-21/h1-7,10,13,16-17,19H,8-9,11-12,14-15H2,(H,32,34).
What are the key properties of N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide?
N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 57391077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).