N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H26N4O4 — CID 71715576

IUPACN-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1=O
InChIInChI=1S/C22H26N4O4/c1-25-13-15(9-19(25)27)21(29)26-6-3-22(4-7-26)10-16(22)11-24-20(28)17-8-14-2-5-23-12-18(14)30-17/h2,5,8,12,15-16H,3-4,6-7,9-11,13H2,1H3,(H,24,28)
InChIKeyKTHWAQPBTRDPTM-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.66
Rot. Bonds4

About N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715576) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715576
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1=O
InChIInChI=1S/C22H26N4O4/c1-25-13-15(9-19(25)27)21(29)26-6-3-22(4-7-26)10-16(22)11-24-20(28)17-8-14-2-5-23-12-18(14)30-17/h2,5,8,12,15-16H,3-4,6-7,9-11,13H2,1H3,(H,24,28)
InChIKeyKTHWAQPBTRDPTM-UHFFFAOYSA-N
XLogP1.66
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715576) is N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CN1CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1=O.
What is the InChIKey of N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KTHWAQPBTRDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-25-13-15(9-19(25)27)21(29)26-6-3-22(4-7-26)10-16(22)11-24-20(28)17-8-14-2-5-23-12-18(14)30-17/h2,5,8,12,15-16H,3-4,6-7,9-11,13H2,1H3,(H,24,28).
What are the key properties of N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-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 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methyl-5-oxopyrrolidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).