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

C22H24N4O4 — CID 71715413

IUPACN-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)on1
InChIInChI=1S/C22H24N4O4/c1-14-8-17(30-25-14)10-20(27)26-6-3-22(4-7-26)11-16(22)12-24-21(28)18-9-15-2-5-23-13-19(15)29-18/h2,5,8-9,13,16H,3-4,6-7,10-12H2,1H3,(H,24,28)
InChIKeyHMOMPDPTPFQZOY-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.73
Rot. Bonds5

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

N-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715413) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715413
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)on1
InChIInChI=1S/C22H24N4O4/c1-14-8-17(30-25-14)10-20(27)26-6-3-22(4-7-26)11-16(22)12-24-21(28)18-9-15-2-5-23-13-19(15)29-18/h2,5,8-9,13,16H,3-4,6-7,10-12H2,1H3,(H,24,28)
InChIKeyHMOMPDPTPFQZOY-UHFFFAOYSA-N
XLogP2.73
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(3-methyl-1,2-oxazol-5-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-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715413) is N-[[6-[2-(3-methyl-1,2-oxazol-5-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-methyl-1,2-oxazol-5-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-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1cc(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)on1.
What is the InChIKey of N-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HMOMPDPTPFQZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-8-17(30-25-14)10-20(27)26-6-3-22(4-7-26)11-16(22)12-24-21(28)18-9-15-2-5-23-13-19(15)29-18/h2,5,8-9,13,16H,3-4,6-7,10-12H2,1H3,(H,24,28).
What are the key properties of N-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).