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

C23H29N3O4 — CID 71715522

IUPACN-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CC1CCCCO1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H29N3O4/c27-21(12-18-3-1-2-10-29-18)26-8-5-23(6-9-26)13-17(23)14-25-22(28)19-11-16-4-7-24-15-20(16)30-19/h4,7,11,15,17-18H,1-3,5-6,8-10,12-14H2,(H,25,28)
InChIKeyKPLDIQSEDOSCDV-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.15
Rot. Bonds5

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

N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715522) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715522
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)CC1CCCCO1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H29N3O4/c27-21(12-18-3-1-2-10-29-18)26-8-5-23(6-9-26)13-17(23)14-25-22(28)19-11-16-4-7-24-15-20(16)30-19/h4,7,11,15,17-18H,1-3,5-6,8-10,12-14H2,(H,25,28)
InChIKeyKPLDIQSEDOSCDV-UHFFFAOYSA-N
XLogP3.15
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715522) is N-[[6-[2-(oxan-2-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-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)CC1CCCCO1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KPLDIQSEDOSCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-21(12-18-3-1-2-10-29-18)26-8-5-23(6-9-26)13-17(23)14-25-22(28)19-11-16-4-7-24-15-20(16)30-19/h4,7,11,15,17-18H,1-3,5-6,8-10,12-14H2,(H,25,28).
What are the key properties of N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(oxan-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).