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

C30H34N4O3 — CID 166629607

IUPACN-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C30H34N4O3/c35-29(32-21-23-4-2-1-3-5-23)20-27-11-8-26(22-31-27)24-9-12-28(13-10-24)37-19-18-33-14-16-34(17-15-33)30(36)25-6-7-25/h1-5,8-13,22,25H,6-7,14-21H2,(H,32,35)
InChIKeyGLYVMLIKBPJPCX-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.54
Rot. Bonds10

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

N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166629607) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166629607
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C30H34N4O3/c35-29(32-21-23-4-2-1-3-5-23)20-27-11-8-26(22-31-27)24-9-12-28(13-10-24)37-19-18-33-14-16-34(17-15-33)30(36)25-6-7-25/h1-5,8-13,22,25H,6-7,14-21H2,(H,32,35)
InChIKeyGLYVMLIKBPJPCX-UHFFFAOYSA-N
XLogP3.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.54
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-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166629607) is N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is GLYVMLIKBPJPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c35-29(32-21-23-4-2-1-3-5-23)20-27-11-8-26(22-31-27)24-9-12-28(13-10-24)37-19-18-33-14-16-34(17-15-33)30(36)25-6-7-25/h1-5,8-13,22,25H,6-7,14-21H2,(H,32,35).
What are the key properties of N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 498.63 g/mol, XLogP of 3.54, 10 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-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166629607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).