N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide

C18H20ClN5O2 — CID 155146150

IUPACN-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25)
InChIKeyLCPRHOCWQQSJED-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.98
Rot. Bonds4

About N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide

N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide (PubChem CID 155146150) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
PubChem CID155146150
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25)
InChIKeyLCPRHOCWQQSJED-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide (CID 155146150) is N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is LCPRHOCWQQSJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25).
What are the key properties of N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 373.84 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 155146150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).