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

C24H25FN4O3 — CID 90012045

IUPACN-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)NCc1ccc(F)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C24H25FN4O3/c25-19-3-1-16(2-4-19)13-28-23(31)29-9-6-24(7-10-29)12-18(24)14-27-22(30)20-11-17-5-8-26-15-21(17)32-20/h1-5,8,11,15,18H,6-7,9-10,12-14H2,(H,27,30)(H,28,31)
InChIKeyXXJDEUKHKIBMBZ-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.71
Rot. Bonds5

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

N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012045) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012045
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)NCc1ccc(F)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C24H25FN4O3/c25-19-3-1-16(2-4-19)13-28-23(31)29-9-6-24(7-10-29)12-18(24)14-27-22(30)20-11-17-5-8-26-15-21(17)32-20/h1-5,8,11,15,18H,6-7,9-10,12-14H2,(H,27,30)(H,28,31)
InChIKeyXXJDEUKHKIBMBZ-UHFFFAOYSA-N
XLogP3.71
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012045) is N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)NCc1ccc(F)cc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XXJDEUKHKIBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-19-3-1-16(2-4-19)13-28-23(31)29-9-6-24(7-10-29)12-18(24)14-27-22(30)20-11-17-5-8-26-15-21(17)32-20/h1-5,8,11,15,18H,6-7,9-10,12-14H2,(H,27,30)(H,28,31).
What are the key properties of N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-fluorophenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).