6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide

C13H16ClN3O — CID 133480926

IUPAC6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCCC3(CC3)C2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c14-10-6-9(11(15)18)7-16-12(10)17-5-1-2-13(8-17)3-4-13/h6-7H,1-5,8H2,(H2,15,18)
InChIKeyBOBXWLPFVPISKJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.21
Rot. Bonds2

About 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide

6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide (PubChem CID 133480926) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
PubChem CID133480926
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCCC3(CC3)C2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c14-10-6-9(11(15)18)7-16-12(10)17-5-1-2-13(8-17)3-4-13/h6-7H,1-5,8H2,(H2,15,18)
InChIKeyBOBXWLPFVPISKJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide (CID 133480926) is 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide is NC(=O)c1cnc(N2CCCC3(CC3)C2)c(Cl)c1.
What is the InChIKey of 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide?
The InChIKey is BOBXWLPFVPISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-10-6-9(11(15)18)7-16-12(10)17-5-1-2-13(8-17)3-4-13/h6-7H,1-5,8H2,(H2,15,18).
What are the key properties of 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide?
6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133480926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).