6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide

C15H16F2N4O — CID 109111535

IUPAC6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H16F2N4O/c1-3-9(2)18-14-7-6-13(20-21-14)15(22)19-10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeySQZLJLKBEXDECI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.22
Rot. Bonds5

About 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide

6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide (PubChem CID 109111535) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
PubChem CID109111535
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H16F2N4O/c1-3-9(2)18-14-7-6-13(20-21-14)15(22)19-10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeySQZLJLKBEXDECI-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115325
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509652
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide (CID 109111535) is 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide?
The InChIKey is SQZLJLKBEXDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-3-9(2)18-14-7-6-13(20-21-14)15(22)19-10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide?
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).