3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine

C23H37N5O — CID 69443702

IUPAC3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine
SMILESCCc1nc(OC(CC)CC)c(CN)nc1-c1ccc(C(C)C)nc1N(C)CC
InChIInChI=1S/C23H37N5O/c1-8-16(9-2)29-23-20(14-24)25-21(18(10-3)27-23)17-12-13-19(15(5)6)26-22(17)28(7)11-4/h12-13,15-16H,8-11,14,24H2,1-7H3
InChIKeyQKKIZPQXTCJYCX-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.71
Rot. Bonds10

About 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine

3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine (PubChem CID 69443702) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine
PubChem CID69443702
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine
SMILESCCc1nc(OC(CC)CC)c(CN)nc1-c1ccc(C(C)C)nc1N(C)CC
InChIInChI=1S/C23H37N5O/c1-8-16(9-2)29-23-20(14-24)25-21(18(10-3)27-23)17-12-13-19(15(5)6)26-22(17)28(7)11-4/h12-13,15-16H,8-11,14,24H2,1-7H3
InChIKeyQKKIZPQXTCJYCX-UHFFFAOYSA-N
XLogP4.71
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine (CID 69443702) is 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine is CCc1nc(OC(CC)CC)c(CN)nc1-c1ccc(C(C)C)nc1N(C)CC.
What is the InChIKey of 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine?
The InChIKey is QKKIZPQXTCJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-8-16(9-2)29-23-20(14-24)25-21(18(10-3)27-23)17-12-13-19(15(5)6)26-22(17)28(7)11-4/h12-13,15-16H,8-11,14,24H2,1-7H3.
What are the key properties of 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine?
3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine has a molecular weight of 399.58 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 69443702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).