N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine

C22H28N2O2 — CID 144600709

IUPACN-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine
SMILESCNc1ccc(OC2CCC3(CC2)CC(OCc2ccccc2)C3)nc1
InChIInChI=1S/C22H28N2O2/c1-23-18-7-8-21(24-15-18)26-19-9-11-22(12-10-19)13-20(14-22)25-16-17-5-3-2-4-6-17/h2-8,15,19-20,23H,9-14,16H2,1H3
InChIKeyGGYLEAXVHMEDHE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.81
Rot. Bonds6

About N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine

N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine (PubChem CID 144600709) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine
PubChem CID144600709
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine
SMILESCNc1ccc(OC2CCC3(CC2)CC(OCc2ccccc2)C3)nc1
InChIInChI=1S/C22H28N2O2/c1-23-18-7-8-21(24-15-18)26-19-9-11-22(12-10-19)13-20(14-22)25-16-17-5-3-2-4-6-17/h2-8,15,19-20,23H,9-14,16H2,1H3
InChIKeyGGYLEAXVHMEDHE-UHFFFAOYSA-N
XLogP4.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine?
The IUPAC name of N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine (CID 144600709) is N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine.
What is the SMILES notation for N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine?
The canonical SMILES for N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine is CNc1ccc(OC2CCC3(CC2)CC(OCc2ccccc2)C3)nc1.
What is the InChIKey of N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine?
The InChIKey is GGYLEAXVHMEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23-18-7-8-21(24-15-18)26-19-9-11-22(12-10-19)13-20(14-22)25-16-17-5-3-2-4-6-17/h2-8,15,19-20,23H,9-14,16H2,1H3.
What are the key properties of N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine?
N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine has a molecular weight of 352.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxypyridin-3-amine is sourced from PubChem (CID 144600709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).