N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide

C23H23ClN6O3 — CID 55361610

IUPACN-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)NC(=O)C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C23H23ClN6O3/c24-19-18(15-26-30(22(19)32)17-9-5-2-6-10-17)28-11-13-29(14-12-28)20(21(31)27-23(25)33)16-7-3-1-4-8-16/h1-10,15,20H,11-14H2,(H3,25,27,31,33)
InChIKeyKXOKULQILIEFLF-UHFFFAOYSA-N
MW466.93 g/mol
LogP1.94
Rot. Bonds5

About N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide

N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 55361610) has the molecular formula C23H23ClN6O3 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide
PubChem CID55361610
Molecular FormulaC23H23ClN6O3
Molecular Weight466.93 g/mol
Exact Mass466.15
IUPAC NameN-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)NC(=O)C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C23H23ClN6O3/c24-19-18(15-26-30(22(19)32)17-9-5-2-6-10-17)28-11-13-29(14-12-28)20(21(31)27-23(25)33)16-7-3-1-4-8-16/h1-10,15,20H,11-14H2,(H3,25,27,31,33)
InChIKeyKXOKULQILIEFLF-UHFFFAOYSA-N
XLogP1.94
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide (CID 55361610) is N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide is NC(=O)NC(=O)C(c1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is KXOKULQILIEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3/c24-19-18(15-26-30(22(19)32)17-9-5-2-6-10-17)28-11-13-29(14-12-28)20(21(31)27-23(25)33)16-7-3-1-4-8-16/h1-10,15,20H,11-14H2,(H3,25,27,31,33).
What are the key properties of N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide?
N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 466.93 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 55361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).