3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide

C25H27Cl2N5O2 — CID 15994483

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H27Cl2N5O2/c26-20-6-4-19(5-7-20)23-8-9-25(34)32(29-23)12-10-24(33)28-11-13-30-14-16-31(17-15-30)22-3-1-2-21(27)18-22/h1-9,18H,10-17H2,(H,28,33)
InChIKeyGLOVOYIOGGXUQA-UHFFFAOYSA-N
MW500.43 g/mol
LogP3.55
Rot. Bonds8

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide (PubChem CID 15994483) has the molecular formula C25H27Cl2N5O2 and a molecular weight of 500.43 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide
PubChem CID15994483
Molecular FormulaC25H27Cl2N5O2
Molecular Weight500.43 g/mol
Exact Mass499.15
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H27Cl2N5O2/c26-20-6-4-19(5-7-20)23-8-9-25(34)32(29-23)12-10-24(33)28-11-13-30-14-16-31(17-15-30)22-3-1-2-21(27)18-22/h1-9,18H,10-17H2,(H,28,33)
InChIKeyGLOVOYIOGGXUQA-UHFFFAOYSA-N
XLogP3.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide (CID 15994483) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide?
The InChIKey is GLOVOYIOGGXUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O2/c26-20-6-4-19(5-7-20)23-8-9-25(34)32(29-23)12-10-24(33)28-11-13-30-14-16-31(17-15-30)22-3-1-2-21(27)18-22/h1-9,18H,10-17H2,(H,28,33).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide has a molecular weight of 500.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 15994483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).