6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide

C15H17BrN4O — CID 109124920

IUPAC6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-15(2,3)18-14(21)12-7-8-13(20-19-12)17-11-6-4-5-10(16)9-11/h4-9H,1-3H3,(H,17,20)(H,18,21)
InChIKeyXKFIKMCFIXMYFD-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.51
Rot. Bonds3

About 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide

6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide (PubChem CID 109124920) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
PubChem CID109124920
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-15(2,3)18-14(21)12-7-8-13(20-19-12)17-11-6-4-5-10(16)9-11/h4-9H,1-3H3,(H,17,20)(H,18,21)
InChIKeyXKFIKMCFIXMYFD-UHFFFAOYSA-N
XLogP3.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
CID 109124857
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide (CID 109124920) is 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(Nc2cccc(Br)c2)nn1.
What is the InChIKey of 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide?
The InChIKey is XKFIKMCFIXMYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-15(2,3)18-14(21)12-7-8-13(20-19-12)17-11-6-4-5-10(16)9-11/h4-9H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide?
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide is sourced from PubChem (CID 109124920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).