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

C21H25N3O4 — CID 71715634

IUPACN-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1CCCO1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C21H25N3O4/c25-19(17-10-14-3-6-22-13-18(14)28-17)23-12-15-11-21(15)4-7-24(8-5-21)20(26)16-2-1-9-27-16/h3,6,10,13,15-16H,1-2,4-5,7-9,11-12H2,(H,23,25)
InChIKeyBEJHGCCAQQXOTN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.37
Rot. Bonds4

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

N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715634) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715634
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1CCCO1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C21H25N3O4/c25-19(17-10-14-3-6-22-13-18(14)28-17)23-12-15-11-21(15)4-7-24(8-5-21)20(26)16-2-1-9-27-16/h3,6,10,13,15-16H,1-2,4-5,7-9,11-12H2,(H,23,25)
InChIKeyBEJHGCCAQQXOTN-UHFFFAOYSA-N
XLogP2.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715634) is N-[[6-(oxolane-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-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)C1CCCO1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is BEJHGCCAQQXOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-19(17-10-14-3-6-22-13-18(14)28-17)23-12-15-11-21(15)4-7-24(8-5-21)20(26)16-2-1-9-27-16/h3,6,10,13,15-16H,1-2,4-5,7-9,11-12H2,(H,23,25).
What are the key properties of N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).