6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide

C17H22N4O3 — CID 109124776

IUPAC6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)(C)C)nn2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-17(2,3)19-15-9-7-12(20-21-15)16(22)18-11-6-8-13(23-4)14(10-11)24-5/h6-10H,1-5H3,(H,18,22)(H,19,21)
InChIKeyIGEBLELBZJWOKG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.96
Rot. Bonds5

About 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide

6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109124776) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109124776
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)(C)C)nn2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-17(2,3)19-15-9-7-12(20-21-15)16(22)18-11-6-8-13(23-4)14(10-11)24-5/h6-10H,1-5H3,(H,18,22)(H,19,21)
InChIKeyIGEBLELBZJWOKG-UHFFFAOYSA-N
XLogP2.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
6-(tert-butylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109124730
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109099186
N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 82860303
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide (CID 109124776) is 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NC(C)(C)C)nn2)cc1OC.
What is the InChIKey of 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is IGEBLELBZJWOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)19-15-9-7-12(20-21-15)16(22)18-11-6-8-13(23-4)14(10-11)24-5/h6-10H,1-5H3,(H,18,22)(H,19,21).
What are the key properties of 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide?
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).