propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate

C20H25N3O4 — CID 90011890

IUPACpropan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C20H25N3O4/c1-13(2)26-19(25)23-7-4-20(5-8-23)10-15(20)11-22-18(24)16-9-14-3-6-21-12-17(14)27-16/h3,6,9,12-13,15H,4-5,7-8,10-11H2,1-2H3,(H,22,24)
InChIKeyNARNKUSRMRGDIA-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.20
Rot. Bonds4

About propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate

propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 90011890) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID90011890
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namepropan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C20H25N3O4/c1-13(2)26-19(25)23-7-4-20(5-8-23)10-15(20)11-22-18(24)16-9-14-3-6-21-12-17(14)27-16/h3,6,9,12-13,15H,4-5,7-8,10-11H2,1-2H3,(H,22,24)
InChIKeyNARNKUSRMRGDIA-UHFFFAOYSA-N
XLogP3.20
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 90011890) is propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate is CC(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is NARNKUSRMRGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)26-19(25)23-7-4-20(5-8-23)10-15(20)11-22-18(24)16-9-14-3-6-21-12-17(14)27-16/h3,6,9,12-13,15H,4-5,7-8,10-11H2,1-2H3,(H,22,24).
What are the key properties of propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?
propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 90011890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).