6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide

C15H16F2N4O — CID 109124809

IUPAC6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C15H16F2N4O/c1-15(2,3)19-13-7-6-12(20-21-13)14(22)18-11-5-4-9(16)8-10(11)17/h4-8H,1-3H3,(H,18,22)(H,19,21)
InChIKeyDKPZLIZHLIXHEC-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.22
Rot. Bonds3

About 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide

6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide (PubChem CID 109124809) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
PubChem CID109124809
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C15H16F2N4O/c1-15(2,3)19-13-7-6-12(20-21-13)14(22)18-11-5-4-9(16)8-10(11)17/h4-8H,1-3H3,(H,18,22)(H,19,21)
InChIKeyDKPZLIZHLIXHEC-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109124777
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109126313
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109120416
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide (CID 109124809) is 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide is CC(C)(C)Nc1ccc(C(=O)Nc2ccc(F)cc2F)nn1.
What is the InChIKey of 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The InChIKey is DKPZLIZHLIXHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-15(2,3)19-13-7-6-12(20-21-13)14(22)18-11-5-4-9(16)8-10(11)17/h4-8H,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).