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

C22H26N4O4 — CID 71715578

IUPACN-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCCC1=O)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H26N4O4/c27-19-2-1-7-26(19)14-20(28)25-8-4-22(5-9-25)11-16(22)12-24-21(29)17-10-15-3-6-23-13-18(15)30-17/h3,6,10,13,16H,1-2,4-5,7-9,11-12,14H2,(H,24,29)
InChIKeyBVWWIQGRRIOSOP-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.81
Rot. Bonds5

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

N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715578) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715578
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CN1CCCC1=O)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H26N4O4/c27-19-2-1-7-26(19)14-20(28)25-8-4-22(5-9-25)11-16(22)12-24-21(29)17-10-15-3-6-23-13-18(15)30-17/h3,6,10,13,16H,1-2,4-5,7-9,11-12,14H2,(H,24,29)
InChIKeyBVWWIQGRRIOSOP-UHFFFAOYSA-N
XLogP1.81
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715578) is N-[[6-[2-(2-oxopyrrolidin-1-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-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CN1CCCC1=O)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is BVWWIQGRRIOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-19-2-1-7-26(19)14-20(28)25-8-4-22(5-9-25)11-16(22)12-24-21(29)17-10-15-3-6-23-13-18(15)30-17/h3,6,10,13,16H,1-2,4-5,7-9,11-12,14H2,(H,24,29).
What are the key properties of N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).