N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

C14H15BrN4O2 — CID 71466626

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C14H15BrN4O2/c1-10-2-7-14(21)19(18-10)9-13(20)17-16-8-11-3-5-12(15)6-4-11/h3-6,8H,2,7,9H2,1H3,(H,17,20)/b16-8+
InChIKeyGQQRIQOPVCGKHB-LZYBPNLTSA-N
MW351.20 g/mol
LogP1.90
Rot. Bonds4

About N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 71466626) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID71466626
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C/c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C14H15BrN4O2/c1-10-2-7-14(21)19(18-10)9-13(20)17-16-8-11-3-5-12(15)6-4-11/h3-6,8H,2,7,9H2,1H3,(H,17,20)/b16-8+
InChIKeyGQQRIQOPVCGKHB-LZYBPNLTSA-N
XLogP1.90
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (CID 71466626) is N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is CC1=NN(CC(=O)N/N=C/c2ccc(Br)cc2)C(=O)CC1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is GQQRIQOPVCGKHB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-10-2-7-14(21)19(18-10)9-13(20)17-16-8-11-3-5-12(15)6-4-11/h3-6,8H,2,7,9H2,1H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 351.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 71466626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).