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

C23H28N4O4 — CID 71715693

IUPACN-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C23H28N4O4/c1-15(28)27-8-2-3-18(27)22(30)26-9-5-23(6-10-26)12-17(23)13-25-21(29)19-11-16-4-7-24-14-20(16)31-19/h4,7,11,14,17-18H,2-3,5-6,8-10,12-13H2,1H3,(H,25,29)
InChIKeyAOYPIJKPEFFTIH-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.20
Rot. Bonds4

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

N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715693) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715693
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C23H28N4O4/c1-15(28)27-8-2-3-18(27)22(30)26-9-5-23(6-10-26)12-17(23)13-25-21(29)19-11-16-4-7-24-14-20(16)31-19/h4,7,11,14,17-18H,2-3,5-6,8-10,12-13H2,1H3,(H,25,29)
InChIKeyAOYPIJKPEFFTIH-UHFFFAOYSA-N
XLogP2.20
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715693) is N-[[6-(1-acetylpyrrolidine-2-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-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(=O)N1CCCC1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AOYPIJKPEFFTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-15(28)27-8-2-3-18(27)22(30)26-9-5-23(6-10-26)12-17(23)13-25-21(29)19-11-16-4-7-24-14-20(16)31-19/h4,7,11,14,17-18H,2-3,5-6,8-10,12-13H2,1H3,(H,25,29).
What are the key properties of N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).