N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide

C15H21N3O — CID 81404563

IUPACN-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESC[C@@H](NC(=O)C1CC12CCNCC2)c1cccnc1
InChIInChI=1S/C15H21N3O/c1-11(12-3-2-6-17-10-12)18-14(19)13-9-15(13)4-7-16-8-5-15/h2-3,6,10-11,13,16H,4-5,7-9H2,1H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyCLCXFUHYNUHWSA-JTDNENJMSA-N
MW259.35 g/mol
LogP1.65
Rot. Bonds3

About N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 81404563) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID81404563
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESC[C@@H](NC(=O)C1CC12CCNCC2)c1cccnc1
InChIInChI=1S/C15H21N3O/c1-11(12-3-2-6-17-10-12)18-14(19)13-9-15(13)4-7-16-8-5-15/h2-3,6,10-11,13,16H,4-5,7-9H2,1H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyCLCXFUHYNUHWSA-JTDNENJMSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 81404563) is N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide is C[C@@H](NC(=O)C1CC12CCNCC2)c1cccnc1.
What is the InChIKey of N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is CLCXFUHYNUHWSA-JTDNENJMSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(12-3-2-6-17-10-12)18-14(19)13-9-15(13)4-7-16-8-5-15/h2-3,6,10-11,13,16H,4-5,7-9H2,1H3,(H,18,19)/t11-,13?/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 81404563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).