N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide

C17H22N4O — CID 109124857

IUPACN-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C17H22N4O/c1-11-7-6-8-12(2)15(11)18-14-10-9-13(20-21-14)16(22)19-17(3,4)5/h6-10H,1-5H3,(H,18,21)(H,19,22)
InChIKeyPJQVCDNNHYWLMA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.37
Rot. Bonds3

About N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide

N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109124857) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109124857
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C17H22N4O/c1-11-7-6-8-12(2)15(11)18-14-10-9-13(20-21-14)16(22)19-17(3,4)5/h6-10H,1-5H3,(H,18,21)(H,19,22)
InChIKeyPJQVCDNNHYWLMA-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.37
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
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109195082
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide (CID 109124857) is N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide is Cc1cccc(C)c1Nc1ccc(C(=O)NC(C)(C)C)nn1.
What is the InChIKey of N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is PJQVCDNNHYWLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-7-6-8-12(2)15(11)18-14-10-9-13(20-21-14)16(22)19-17(3,4)5/h6-10H,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide?
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).