2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide

C20H21ClN4O2 — CID 71946740

IUPAC2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide
SMILESCC(C)n1cccc1CNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O
InChIInChI=1S/C20H21ClN4O2/c1-14(2)24-11-5-6-15(24)12-22-19(26)13-25-20(27)10-9-18(23-25)16-7-3-4-8-17(16)21/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyPTEBNZAJWFOEPZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.26
Rot. Bonds6

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

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide (PubChem CID 71946740) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide
PubChem CID71946740
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide
SMILESCC(C)n1cccc1CNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O
InChIInChI=1S/C20H21ClN4O2/c1-14(2)24-11-5-6-15(24)12-22-19(26)13-25-20(27)10-9-18(23-25)16-7-3-4-8-17(16)21/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyPTEBNZAJWFOEPZ-UHFFFAOYSA-N
XLogP3.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-propan-2-ylindol-4-yl)acetamide
CID 56761363
4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
(2R)-2-[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95395393
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 71946742
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123245
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704635
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443
N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53367843
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide (CID 71946740) is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide is CC(C)n1cccc1CNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O.
What is the InChIKey of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide?
The InChIKey is PTEBNZAJWFOEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-14(2)24-11-5-6-15(24)12-22-19(26)13-25-20(27)10-9-18(23-25)16-7-3-4-8-17(16)21/h3-11,14H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide?
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide has a molecular weight of 384.87 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 71946740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).