N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine

C21H28N4O — CID 77476252

IUPACN-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESc1ccc(C2(CCNCc3cnccn3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C21H28N4O/c1-4-10-25-19(5-1)20(8-11-22-15-18-16-23-12-13-24-18)9-14-26-21(17-20)6-2-3-7-21/h1,4-5,10,12-13,16,22H,2-3,6-9,11,14-15,17H2
InChIKeyRGZVCOKHHUZDOY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.41
Rot. Bonds6

About N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine

N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 77476252) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID77476252
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESc1ccc(C2(CCNCc3cnccn3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C21H28N4O/c1-4-10-25-19(5-1)20(8-11-22-15-18-16-23-12-13-24-18)9-14-26-21(17-20)6-2-3-7-21/h1,4-5,10,12-13,16,22H,2-3,6-9,11,14-15,17H2
InChIKeyRGZVCOKHHUZDOY-UHFFFAOYSA-N
XLogP3.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 77476324
N-[(2,6-difluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 129158672
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 129158750
N-(pyridin-3-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 72712364
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 134303897
N-[(3-fluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 142746692
N-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 77476233
N-[(6-bromo-5-fluoro-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 123264481
N-[(5-methylsulfinyl-3-pyridinyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 134316281
N-(pyridin-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 72712365
2-(4-chlorophenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
CID 77476311
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 129158559

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 77476252) is N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine is c1ccc(C2(CCNCc3cnccn3)CCOC3(CCCC3)C2)nc1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is RGZVCOKHHUZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-10-25-19(5-1)20(8-11-22-15-18-16-23-12-13-24-18)9-14-26-21(17-20)6-2-3-7-21/h1,4-5,10,12-13,16,22H,2-3,6-9,11,14-15,17H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 352.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 77476252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).