5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine

C22H32N4O2 — CID 170396452

IUPAC5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine
SMILESCNc1cnc(C)c(-c2cnc(OC(C)CCOC)c(N3CCCCC3)c2)c1
InChIInChI=1S/C22H32N4O2/c1-16(8-11-27-4)28-22-21(26-9-6-5-7-10-26)12-18(14-25-22)20-13-19(23-3)15-24-17(20)2/h12-16,23H,5-11H2,1-4H3
InChIKeyHWEGSTIDJPZYFK-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.29
Rot. Bonds8

About 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine

5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine (PubChem CID 170396452) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine
PubChem CID170396452
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine
SMILESCNc1cnc(C)c(-c2cnc(OC(C)CCOC)c(N3CCCCC3)c2)c1
InChIInChI=1S/C22H32N4O2/c1-16(8-11-27-4)28-22-21(26-9-6-5-7-10-26)12-18(14-25-22)20-13-19(23-3)15-24-17(20)2/h12-16,23H,5-11H2,1-4H3
InChIKeyHWEGSTIDJPZYFK-UHFFFAOYSA-N
XLogP4.29
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine?
The IUPAC name of 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine (CID 170396452) is 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine.
What is the SMILES notation for 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine?
The canonical SMILES for 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine is CNc1cnc(C)c(-c2cnc(OC(C)CCOC)c(N3CCCCC3)c2)c1.
What is the InChIKey of 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine?
The InChIKey is HWEGSTIDJPZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16(8-11-27-4)28-22-21(26-9-6-5-7-10-26)12-18(14-25-22)20-13-19(23-3)15-24-17(20)2/h12-16,23H,5-11H2,1-4H3.
What are the key properties of 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine?
5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine has a molecular weight of 384.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine is sourced from PubChem (CID 170396452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).