N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H21F3N4O3 — CID 118621373

IUPACN-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1cc(C(F)(F)F)ccn1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)15-2-6-28-17(10-15)21(32)30-7-3-22(4-8-30)11-16(22)12-29-20(31)18-9-14-1-5-27-13-19(14)33-18/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12H2,(H,29,31)
InChIKeyVBCJYLMZSJKUST-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.91
Rot. Bonds4

About N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118621373) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118621373
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1cc(C(F)(F)F)ccn1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)15-2-6-28-17(10-15)21(32)30-7-3-22(4-8-30)11-16(22)12-29-20(31)18-9-14-1-5-27-13-19(14)33-18/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12H2,(H,29,31)
InChIKeyVBCJYLMZSJKUST-UHFFFAOYSA-N
XLogP3.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118621373) is N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)c1cc(C(F)(F)F)ccn1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is VBCJYLMZSJKUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c24-23(25,26)15-2-6-28-17(10-15)21(32)30-7-3-22(4-8-30)11-16(22)12-29-20(31)18-9-14-1-5-27-13-19(14)33-18/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12H2,(H,29,31).
What are the key properties of N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethyl)pyridine-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).