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

C22H28N4O4 — CID 71715521

IUPACN-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCOCC1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H28N4O4/c27-20(15-25-7-9-29-10-8-25)26-5-2-22(3-6-26)12-17(22)13-24-21(28)18-11-16-1-4-23-14-19(16)30-18/h1,4,11,14,17H,2-3,5-10,12-13,15H2,(H,24,28)
InChIKeyKKAXDUFOGQMWEH-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.52
Rot. Bonds5

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

N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715521) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715521
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCOCC1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H28N4O4/c27-20(15-25-7-9-29-10-8-25)26-5-2-22(3-6-26)12-17(22)13-24-21(28)18-11-16-1-4-23-14-19(16)30-18/h1,4,11,14,17H,2-3,5-10,12-13,15H2,(H,24,28)
InChIKeyKKAXDUFOGQMWEH-UHFFFAOYSA-N
XLogP1.52
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715521) is N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CN1CCOCC1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KKAXDUFOGQMWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c27-20(15-25-7-9-29-10-8-25)26-5-2-22(3-6-26)12-17(22)13-24-21(28)18-11-16-1-4-23-14-19(16)30-18/h1,4,11,14,17H,2-3,5-10,12-13,15H2,(H,24,28).
What are the key properties of N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-morpholin-4-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).