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

C26H26N4O4 — CID 71715751

IUPACN-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CC1NC(=O)c3ccccc31)CC2)c1cc2ccncc2o1
InChIInChI=1S/C26H26N4O4/c31-23(12-20-18-3-1-2-4-19(18)24(32)29-20)30-9-6-26(7-10-30)13-17(26)14-28-25(33)21-11-16-5-8-27-15-22(16)34-21/h1-5,8,11,15,17,20H,6-7,9-10,12-14H2,(H,28,33)(H,29,32)
InChIKeyNRNFKZPPFOZEEQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.06
Rot. Bonds5

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

N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715751) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715751
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CC1NC(=O)c3ccccc31)CC2)c1cc2ccncc2o1
InChIInChI=1S/C26H26N4O4/c31-23(12-20-18-3-1-2-4-19(18)24(32)29-20)30-9-6-26(7-10-30)13-17(26)14-28-25(33)21-11-16-5-8-27-15-22(16)34-21/h1-5,8,11,15,17,20H,6-7,9-10,12-14H2,(H,28,33)(H,29,32)
InChIKeyNRNFKZPPFOZEEQ-UHFFFAOYSA-N
XLogP3.06
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(3-oxo-1,2-dihydroisoindol-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-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715751) is N-[[6-[2-(3-oxo-1,2-dihydroisoindol-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-(3-oxo-1,2-dihydroisoindol-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-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CC1NC(=O)c3ccccc31)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NRNFKZPPFOZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-23(12-20-18-3-1-2-4-19(18)24(32)29-20)30-9-6-26(7-10-30)13-17(26)14-28-25(33)21-11-16-5-8-27-15-22(16)34-21/h1-5,8,11,15,17,20H,6-7,9-10,12-14H2,(H,28,33)(H,29,32).
What are the key properties of N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).