3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide

C14H22N4O2 — CID 139234600

IUPAC3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C14H22N4O2/c1-13(2,3)15-11(19)9-7-8-10(18-17-9)12(20)16-14(4,5)6/h7-8H,1-6H3,(H,15,19)(H,16,20)
InChIKeyZEWMNEUIBQNZIP-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.53
Rot. Bonds2

About 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide

3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide (PubChem CID 139234600) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
PubChem CID139234600
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C14H22N4O2/c1-13(2,3)15-11(19)9-7-8-10(18-17-9)12(20)16-14(4,5)6/h7-8H,1-6H3,(H,15,19)(H,16,20)
InChIKeyZEWMNEUIBQNZIP-UHFFFAOYSA-N
XLogP1.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62173045
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CID 113200586
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CID 109124849
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
CID 109124857
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109119978
N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide
CID 118072283

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide?
The IUPAC name of 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide (CID 139234600) is 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide.
What is the SMILES notation for 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide?
The canonical SMILES for 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)nn1.
What is the InChIKey of 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide?
The InChIKey is ZEWMNEUIBQNZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-13(2,3)15-11(19)9-7-8-10(18-17-9)12(20)16-14(4,5)6/h7-8H,1-6H3,(H,15,19)(H,16,20).
What are the key properties of 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide?
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide is sourced from PubChem (CID 139234600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).