1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide

C17H13BrN4O2 — CID 118492322

IUPAC1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C17H13BrN4O2/c18-10-3-1-4-12(9-10)22-16-13(5-2-8-19-16)15(23)14(21-22)17(24)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,24)
InChIKeyXFOCGLHSZRUXTA-UHFFFAOYSA-N
MW385.22 g/mol
LogP2.44
Rot. Bonds3

About 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide

1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide (PubChem CID 118492322) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide
PubChem CID118492322
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C17H13BrN4O2/c18-10-3-1-4-12(9-10)22-16-13(5-2-8-19-16)15(23)14(21-22)17(24)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,24)
InChIKeyXFOCGLHSZRUXTA-UHFFFAOYSA-N
XLogP2.44
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)sulfonylphenyl]-4-oxopyrido[2,3-c]pyridazine-3-carboxamide
CID 123178589
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
1-(3-bromophenyl)-N-(oxan-3-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 56559244
1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 154815157
1-(3-bromophenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119429284
ethyl 4-[[1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 55789318
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284
1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 12991318
1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
CID 172761635
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 10136016

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide (CID 118492322) is 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide is O=C(NC1CC1)c1nn(-c2cccc(Br)c2)c2ncccc2c1=O.
What is the InChIKey of 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide?
The InChIKey is XFOCGLHSZRUXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c18-10-3-1-4-12(9-10)22-16-13(5-2-8-19-16)15(23)14(21-22)17(24)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,24).
What are the key properties of 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide?
1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide has a molecular weight of 385.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 118492322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).