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

C23H24N4O3 — CID 71715470

IUPACN-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1cccnc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H24N4O3/c28-21(10-16-2-1-6-24-13-16)27-8-4-23(5-9-27)12-18(23)14-26-22(29)19-11-17-3-7-25-15-20(17)30-19/h1-3,6-7,11,13,15,18H,4-5,8-10,12,14H2,(H,26,29)
InChIKeyONBFBCFOTAZDBY-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.82
Rot. Bonds5

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

N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715470) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715470
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1cccnc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H24N4O3/c28-21(10-16-2-1-6-24-13-16)27-8-4-23(5-9-27)12-18(23)14-26-22(29)19-11-17-3-7-25-15-20(17)30-19/h1-3,6-7,11,13,15,18H,4-5,8-10,12,14H2,(H,26,29)
InChIKeyONBFBCFOTAZDBY-UHFFFAOYSA-N
XLogP2.82
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715470) is N-[[6-(2-pyridin-3-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-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)Cc1cccnc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ONBFBCFOTAZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(10-16-2-1-6-24-13-16)27-8-4-23(5-9-27)12-18(23)14-26-22(29)19-11-17-3-7-25-15-20(17)30-19/h1-3,6-7,11,13,15,18H,4-5,8-10,12,14H2,(H,26,29).
What are the key properties of N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).