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

C22H23N5O3 — CID 71715520

IUPACN-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1cnccn1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H23N5O3/c28-20(10-17-13-24-5-6-25-17)27-7-2-22(3-8-27)11-16(22)12-26-21(29)18-9-15-1-4-23-14-19(15)30-18/h1,4-6,9,13-14,16H,2-3,7-8,10-12H2,(H,26,29)
InChIKeySZVVLHOKXBJWCK-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.22
Rot. Bonds5

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

N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715520) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715520
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1cnccn1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C22H23N5O3/c28-20(10-17-13-24-5-6-25-17)27-7-2-22(3-8-27)11-16(22)12-26-21(29)18-9-15-1-4-23-14-19(15)30-18/h1,4-6,9,13-14,16H,2-3,7-8,10-12H2,(H,26,29)
InChIKeySZVVLHOKXBJWCK-UHFFFAOYSA-N
XLogP2.22
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715520) is N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)Cc1cnccn1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SZVVLHOKXBJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-20(10-17-13-24-5-6-25-17)27-7-2-22(3-8-27)11-16(22)12-26-21(29)18-9-15-1-4-23-14-19(15)30-18/h1,4-6,9,13-14,16H,2-3,7-8,10-12H2,(H,26,29).
What are the key properties of N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-pyrazin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).