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

C22H29N3O3 — CID 71715408

IUPACN-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C22H29N3O3/c1-21(2,3)12-19(26)25-8-5-22(6-9-25)11-16(22)13-24-20(27)17-10-15-4-7-23-14-18(15)28-17/h4,7,10,14,16H,5-6,8-9,11-13H2,1-3H3,(H,24,27)
InChIKeyOBMQCLJEUHKHCF-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.62
Rot. Bonds4

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

N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715408) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715408
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C22H29N3O3/c1-21(2,3)12-19(26)25-8-5-22(6-9-25)11-16(22)13-24-20(27)17-10-15-4-7-23-14-18(15)28-17/h4,7,10,14,16H,5-6,8-9,11-13H2,1-3H3,(H,24,27)
InChIKeyOBMQCLJEUHKHCF-UHFFFAOYSA-N
XLogP3.62
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715408) is N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(C)(C)CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is OBMQCLJEUHKHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-21(2,3)12-19(26)25-8-5-22(6-9-25)11-16(22)13-24-20(27)17-10-15-4-7-23-14-18(15)28-17/h4,7,10,14,16H,5-6,8-9,11-13H2,1-3H3,(H,24,27).
What are the key properties of N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).