N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide

C24H19ClN4O2 — CID 121051656

IUPACN-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C24H19ClN4O2/c25-20-11-9-19(10-12-20)21-13-14-23(30)29(27-21)17-24(31)28(22-8-4-5-15-26-22)16-18-6-2-1-3-7-18/h1-15H,16-17H2
InChIKeyBGAHMHPTJXERED-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.19
Rot. Bonds6

About N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide

N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 121051656) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID121051656
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C24H19ClN4O2/c25-20-11-9-19(10-12-20)21-13-14-23(30)29(27-21)17-24(31)28(22-8-4-5-15-26-22)16-18-6-2-1-3-7-18/h1-15H,16-17H2
InChIKeyBGAHMHPTJXERED-UHFFFAOYSA-N
XLogP4.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051943
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
CID 121064221
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide (CID 121051656) is N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is BGAHMHPTJXERED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c25-20-11-9-19(10-12-20)21-13-14-23(30)29(27-21)17-24(31)28(22-8-4-5-15-26-22)16-18-6-2-1-3-7-18/h1-15H,16-17H2.
What are the key properties of N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 430.90 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 121051656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).