N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide

C21H17BrN4O2 — CID 71699064

IUPACN-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(Cc2ccc(C#N)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C21H17BrN4O2/c1-14-10-17(11-15-2-4-16(12-23)5-3-15)21(28)26(25-14)13-20(27)24-19-8-6-18(22)7-9-19/h2-10H,11,13H2,1H3,(H,24,27)
InChIKeyQFFAMOWJLHRYFH-UHFFFAOYSA-N
MW437.30 g/mol
LogP3.42
Rot. Bonds5

About N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide

N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 71699064) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
PubChem CID71699064
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC NameN-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(Cc2ccc(C#N)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C21H17BrN4O2/c1-14-10-17(11-15-2-4-16(12-23)5-3-15)21(28)26(25-14)13-20(27)24-19-8-6-18(22)7-9-19/h2-10H,11,13H2,1H3,(H,24,27)
InChIKeyQFFAMOWJLHRYFH-UHFFFAOYSA-N
XLogP3.42
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
2-[3-(4-bromophenyl)-2-oxopropyl]-4-[(3,5-dimethoxyphenyl)methyl]-6-methylpyridazin-3-one
CID 159955119
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
2-[3-(4-bromophenyl)-2-oxopropyl]-4-[(3-chlorophenyl)methyl]-6-methylpyridazin-3-one
CID 159955115
N-(4-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 16598170
N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
CID 122488051
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3,4-dimethyl-6-oxopyridazin-1-yl]acetamide
CID 171342877
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
CID 60919142
N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide
CID 53136998

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide (CID 71699064) is N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide is Cc1cc(Cc2ccc(C#N)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is QFFAMOWJLHRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c1-14-10-17(11-15-2-4-16(12-23)5-3-15)21(28)26(25-14)13-20(27)24-19-8-6-18(22)7-9-19/h2-10H,11,13H2,1H3,(H,24,27).
What are the key properties of N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 437.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 71699064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).