N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C30H38N4O2 — CID 166628437

IUPACN-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCC(C)(C)N1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C30H38N4O2/c1-30(2,3)34-17-15-33(16-18-34)19-20-36-28-13-10-25(11-14-28)26-9-12-27(31-23-26)21-29(35)32-22-24-7-5-4-6-8-24/h4-14,23H,15-22H2,1-3H3,(H,32,35)
InChIKeyGDKYOTQYPJBLTQ-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.40
Rot. Bonds9

About N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166628437) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166628437
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCC(C)(C)N1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C30H38N4O2/c1-30(2,3)34-17-15-33(16-18-34)19-20-36-28-13-10-25(11-14-28)26-9-12-27(31-23-26)21-29(35)32-22-24-7-5-4-6-8-24/h4-14,23H,15-22H2,1-3H3,(H,32,35)
InChIKeyGDKYOTQYPJBLTQ-UHFFFAOYSA-N
XLogP4.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166628437) is N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is CC(C)(C)N1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is GDKYOTQYPJBLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-30(2,3)34-17-15-33(16-18-34)19-20-36-28-13-10-25(11-14-28)26-9-12-27(31-23-26)21-29(35)32-22-24-7-5-4-6-8-24/h4-14,23H,15-22H2,1-3H3,(H,32,35).
What are the key properties of N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 486.66 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166628437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).