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

C22H28N4O3 — CID 71715412

IUPACN-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCCC1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H28N4O3/c27-20(15-25-7-1-2-8-25)26-9-4-22(5-10-26)12-17(22)13-24-21(28)18-11-16-3-6-23-14-19(16)29-18/h3,6,11,14,17H,1-2,4-5,7-10,12-13,15H2,(H,24,28)
InChIKeyYAMPLXMOBIDECU-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.28
Rot. Bonds5

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

N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715412) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715412
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCCC1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H28N4O3/c27-20(15-25-7-1-2-8-25)26-9-4-22(5-10-26)12-17(22)13-24-21(28)18-11-16-3-6-23-14-19(16)29-18/h3,6,11,14,17H,1-2,4-5,7-10,12-13,15H2,(H,24,28)
InChIKeyYAMPLXMOBIDECU-UHFFFAOYSA-N
XLogP2.28
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118621393
N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715467
N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715581
N-[[6-(1-carbamoylpiperidine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715806
N-[(6-benzoyl-6-azaspiro[2.5]octan-2-yl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90011955
N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715752
N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012576
N-[[6-[2-(tert-butylamino)-2-oxoacetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715524
N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715693
N-[[6-(3-acetamidopyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012527
N-[[6-(6-ethynylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 130290308
N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715697

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715412) is N-[[6-(2-pyrrolidin-1-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-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CN1CCCC1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YAMPLXMOBIDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-20(15-25-7-1-2-8-25)26-9-4-22(5-10-26)12-17(22)13-24-21(28)18-11-16-3-6-23-14-19(16)29-18/h3,6,11,14,17H,1-2,4-5,7-10,12-13,15H2,(H,24,28).
What are the key properties of N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).