6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine

C15H26N4O — CID 63610131

IUPAC6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CCN(CC)C(C)C2)ccc1N
InChIInChI=1S/C15H26N4O/c1-4-10-20-15-13(16)6-7-14(17-15)19-9-8-18(5-2)12(3)11-19/h6-7,12H,4-5,8-11,16H2,1-3H3
InChIKeyNBLIDQWRTGAJHM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.98
Rot. Bonds5

About 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine

6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine (PubChem CID 63610131) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine
PubChem CID63610131
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CCN(CC)C(C)C2)ccc1N
InChIInChI=1S/C15H26N4O/c1-4-10-20-15-13(16)6-7-14(17-15)19-9-8-18(5-2)12(3)11-19/h6-7,12H,4-5,8-11,16H2,1-3H3
InChIKeyNBLIDQWRTGAJHM-UHFFFAOYSA-N
XLogP1.98
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine?
The IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine (CID 63610131) is 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine is CCCOc1nc(N2CCN(CC)C(C)C2)ccc1N.
What is the InChIKey of 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine?
The InChIKey is NBLIDQWRTGAJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-10-20-15-13(16)6-7-14(17-15)19-9-8-18(5-2)12(3)11-19/h6-7,12H,4-5,8-11,16H2,1-3H3.
What are the key properties of 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine?
6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxypyridin-3-amine is sourced from PubChem (CID 63610131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).