6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine

C21H26ClN5O — CID 166992700

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)c(OC)c1)c1ncc(N2CCC3(CCCC3)CC2)nc1N
InChIInChI=1S/C21H26ClN5O/c1-28-16-12-14(4-5-15(16)22)18(23)19-20(24)26-17(13-25-19)27-10-8-21(9-11-27)6-2-3-7-21/h4-5,12-13,23H,2-3,6-11H2,1H3,(H2,24,26)/b23-18+
InChIKeyZKQYYLDLGJRZDF-PTGBLXJZSA-N
MW399.93 g/mol
LogP4.30
Rot. Bonds4

About 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine

6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine (PubChem CID 166992700) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
PubChem CID166992700
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)c(OC)c1)c1ncc(N2CCC3(CCCC3)CC2)nc1N
InChIInChI=1S/C21H26ClN5O/c1-28-16-12-14(4-5-15(16)22)18(23)19-20(24)26-17(13-25-19)27-10-8-21(9-11-27)6-2-3-7-21/h4-5,12-13,23H,2-3,6-11H2,1H3,(H2,24,26)/b23-18+
InChIKeyZKQYYLDLGJRZDF-PTGBLXJZSA-N
XLogP4.30
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine (CID 166992700) is 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine is [H]/N=C(\c1ccc(Cl)c(OC)c1)c1ncc(N2CCC3(CCCC3)CC2)nc1N.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine?
The InChIKey is ZKQYYLDLGJRZDF-PTGBLXJZSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-28-16-12-14(4-5-15(16)22)18(23)19-20(24)26-17(13-25-19)27-10-8-21(9-11-27)6-2-3-7-21/h4-5,12-13,23H,2-3,6-11H2,1H3,(H2,24,26)/b23-18+.
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine?
6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine has a molecular weight of 399.93 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 166992700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).