N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H25N3O5S — CID 71715639

IUPACN-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1CCS(=O)(=O)C1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C21H25N3O5S/c25-19(17-9-14-1-5-22-12-18(14)29-17)23-11-16-10-21(16)3-6-24(7-4-21)20(26)15-2-8-30(27,28)13-15/h1,5,9,12,15-16H,2-4,6-8,10-11,13H2,(H,23,25)
InChIKeyZGWVPPQAXBDATO-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.62
Rot. Bonds4

About N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715639) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715639
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1CCS(=O)(=O)C1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C21H25N3O5S/c25-19(17-9-14-1-5-22-12-18(14)29-17)23-11-16-10-21(16)3-6-24(7-4-21)20(26)15-2-8-30(27,28)13-15/h1,5,9,12,15-16H,2-4,6-8,10-11,13H2,(H,23,25)
InChIKeyZGWVPPQAXBDATO-UHFFFAOYSA-N
XLogP1.62
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715639) is N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)C1CCS(=O)(=O)C1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZGWVPPQAXBDATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c25-19(17-9-14-1-5-22-12-18(14)29-17)23-11-16-10-21(16)3-6-24(7-4-21)20(26)15-2-8-30(27,28)13-15/h1,5,9,12,15-16H,2-4,6-8,10-11,13H2,(H,23,25).
What are the key properties of N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1-dioxothiolane-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).