6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide

C15H17BrN4O — CID 109124484

IUPAC6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)15(21)13-8-9-14(19-18-13)17-12-7-5-6-11(16)10-12/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyDUBQOHATGKSXDS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.46
Rot. Bonds5

About 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide

6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide (PubChem CID 109124484) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
PubChem CID109124484
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)15(21)13-8-9-14(19-18-13)17-12-7-5-6-11(16)10-12/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyDUBQOHATGKSXDS-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-bromoanilino)-N,N-diethylpyridazine-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

methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide (CID 109124484) is 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2cccc(Br)c2)nn1.
What is the InChIKey of 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide?
The InChIKey is DUBQOHATGKSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-20(4-2)15(21)13-8-9-14(19-18-13)17-12-7-5-6-11(16)10-12/h5-10H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide?
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 109124484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).