2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C18H17ClN4O2 — CID 71946742

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H17ClN4O2/c1-22-10-2-3-15(22)11-20-17(24)12-23-18(25)9-8-16(21-23)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyYMWZPGKUHLNSPB-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.22
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 71946742) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID71946742
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H17ClN4O2/c1-22-10-2-3-15(22)11-20-17(24)12-23-18(25)9-8-16(21-23)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyYMWZPGKUHLNSPB-UHFFFAOYSA-N
XLogP2.22
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide
CID 71946740
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968372
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 71946742) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is YMWZPGKUHLNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-22-10-2-3-15(22)11-20-17(24)12-23-18(25)9-8-16(21-23)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 71946742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).