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

C22H27N3O4 — CID 71715468

IUPACN-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CC1CCCO1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H27N3O4/c26-20(11-17-2-1-9-28-17)25-7-4-22(5-8-25)12-16(22)13-24-21(27)18-10-15-3-6-23-14-19(15)29-18/h3,6,10,14,16-17H,1-2,4-5,7-9,11-13H2,(H,24,27)
InChIKeyXREQFQDTYQKIDT-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.76
Rot. Bonds5

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

N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715468) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715468
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CC1CCCO1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H27N3O4/c26-20(11-17-2-1-9-28-17)25-7-4-22(5-8-25)12-16(22)13-24-21(27)18-10-15-3-6-23-14-19(15)29-18/h3,6,10,14,16-17H,1-2,4-5,7-9,11-13H2,(H,24,27)
InChIKeyXREQFQDTYQKIDT-UHFFFAOYSA-N
XLogP2.76
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715468) is N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CC1CCCO1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XREQFQDTYQKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-20(11-17-2-1-9-28-17)25-7-4-22(5-8-25)12-16(22)13-24-21(27)18-10-15-3-6-23-14-19(15)29-18/h3,6,10,14,16-17H,1-2,4-5,7-9,11-13H2,(H,24,27).
What are the key properties of N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(oxolan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).