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

C27H34N4O3 — CID 118621298

IUPACN-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)NC13CC4CC(CC(C4)C1)C3)CC2)c1cc2ccncc2o1
InChIInChI=1S/C27H34N4O3/c32-24(22-10-20-1-4-28-16-23(20)34-22)29-15-21-14-26(21)2-5-31(6-3-26)25(33)30-27-11-17-7-18(12-27)9-19(8-17)13-27/h1,4,10,16-19,21H,2-3,5-9,11-15H2,(H,29,32)(H,30,33)
InChIKeyYUMGYETWNJXJPV-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.34
Rot. Bonds4

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

N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118621298) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118621298
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)NC13CC4CC(CC(C4)C1)C3)CC2)c1cc2ccncc2o1
InChIInChI=1S/C27H34N4O3/c32-24(22-10-20-1-4-28-16-23(20)34-22)29-15-21-14-26(21)2-5-31(6-3-26)25(33)30-27-11-17-7-18(12-27)9-19(8-17)13-27/h1,4,10,16-19,21H,2-3,5-9,11-15H2,(H,29,32)(H,30,33)
InChIKeyYUMGYETWNJXJPV-UHFFFAOYSA-N
XLogP4.34
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118621298) is N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)NC13CC4CC(CC(C4)C1)C3)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YUMGYETWNJXJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c32-24(22-10-20-1-4-28-16-23(20)34-22)29-15-21-14-26(21)2-5-31(6-3-26)25(33)30-27-11-17-7-18(12-27)9-19(8-17)13-27/h1,4,10,16-19,21H,2-3,5-9,11-15H2,(H,29,32)(H,30,33).
What are the key properties of N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-adamantylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).