N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C18H19N5O2 — CID 56643063

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3cnc[nH]3)n2)cc1
InChIInChI=1S/C18H19N5O2/c1-13-2-4-14(5-3-13)16-6-7-18(25)23(22-16)11-17(24)20-9-8-15-10-19-12-21-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)(H,20,24)
InChIKeySIGDUSSFHQUDDW-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 56643063) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID56643063
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3cnc[nH]3)n2)cc1
InChIInChI=1S/C18H19N5O2/c1-13-2-4-14(5-3-13)16-6-7-18(25)23(22-16)11-17(24)20-9-8-15-10-19-12-21-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)(H,20,24)
InChIKeySIGDUSSFHQUDDW-UHFFFAOYSA-N
XLogP1.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385
N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 56643056
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7660007
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 4582584
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 56643063) is N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCc3cnc[nH]3)n2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is SIGDUSSFHQUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-2-4-14(5-3-13)16-6-7-18(25)23(22-16)11-17(24)20-9-8-15-10-19-12-21-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)(H,20,24).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 56643063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).