N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine

C24H38N6 — CID 139517283

IUPACN-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine
SMILESCCN(CCCC(C)c1cnc(N2CCN(C)CC2)cn1)c1ccc(C(C)C)cn1
InChIInChI=1S/C24H38N6/c1-6-29(23-10-9-21(16-26-23)19(2)3)11-7-8-20(4)22-17-27-24(18-25-22)30-14-12-28(5)13-15-30/h9-10,16-20H,6-8,11-15H2,1-5H3
InChIKeyWLVYHGBZJCKXQM-UHFFFAOYSA-N
MW410.61 g/mol
LogP4.16
Rot. Bonds9

About N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine

N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine (PubChem CID 139517283) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine
PubChem CID139517283
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC NameN-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine
SMILESCCN(CCCC(C)c1cnc(N2CCN(C)CC2)cn1)c1ccc(C(C)C)cn1
InChIInChI=1S/C24H38N6/c1-6-29(23-10-9-21(16-26-23)19(2)3)11-7-8-20(4)22-17-27-24(18-25-22)30-14-12-28(5)13-15-30/h9-10,16-20H,6-8,11-15H2,1-5H3
InChIKeyWLVYHGBZJCKXQM-UHFFFAOYSA-N
XLogP4.16
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine?
The IUPAC name of N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine (CID 139517283) is N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine is CCN(CCCC(C)c1cnc(N2CCN(C)CC2)cn1)c1ccc(C(C)C)cn1.
What is the InChIKey of N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine?
The InChIKey is WLVYHGBZJCKXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6/c1-6-29(23-10-9-21(16-26-23)19(2)3)11-7-8-20(4)22-17-27-24(18-25-22)30-14-12-28(5)13-15-30/h9-10,16-20H,6-8,11-15H2,1-5H3.
What are the key properties of N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine?
N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine has a molecular weight of 410.61 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]pentyl]-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 139517283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).