N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide

C22H24N4O3 — CID 10157339

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide
SMILESCOc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)oc2nccnc12
InChIInChI=1S/C22H24N4O3/c1-28-19-18-22(24-10-9-23-18)29-20(19)21(27)25-15-11-16-7-8-17(12-15)26(16)13-14-5-3-2-4-6-14/h2-6,9-10,15-17H,7-8,11-13H2,1H3,(H,25,27)
InChIKeyKNVKGKVUTCHMRW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.16
Rot. Bonds5

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide (PubChem CID 10157339) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide
PubChem CID10157339
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide
SMILESCOc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)oc2nccnc12
InChIInChI=1S/C22H24N4O3/c1-28-19-18-22(24-10-9-23-18)29-20(19)21(27)25-15-11-16-7-8-17(12-15)26(16)13-14-5-3-2-4-6-14/h2-6,9-10,15-17H,7-8,11-13H2,1H3,(H,25,27)
InChIKeyKNVKGKVUTCHMRW-UHFFFAOYSA-N
XLogP3.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide (CID 10157339) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide is COc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)oc2nccnc12.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide?
The InChIKey is KNVKGKVUTCHMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-18-22(24-10-9-23-18)29-20(19)21(27)25-15-11-16-7-8-17(12-15)26(16)13-14-5-3-2-4-6-14/h2-6,9-10,15-17H,7-8,11-13H2,1H3,(H,25,27).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 10157339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).