N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide

C22H23FN4O — CID 10429738

IUPACN-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnnc2NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)16-6-10-18(11-7-16)26-21(28)19-12-13-25-27-20(19)24-14-15-4-8-17(23)9-5-15/h4-13H,14H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyCUIABQQRQDABCP-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.78
Rot. Bonds5

About N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide

N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide (PubChem CID 10429738) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide
PubChem CID10429738
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnnc2NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)16-6-10-18(11-7-16)26-21(28)19-12-13-25-27-20(19)24-14-15-4-8-17(23)9-5-15/h4-13H,14H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyCUIABQQRQDABCP-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
CID 53496869
[1-(4-Fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 71878643
6-[(4-fluorophenyl)methyl-methylamino]-N-phenylpyridazine-4-carboxamide
CID 137654734
2,4-Difluoro-N-{1-[4-(propan-2-YL)phenyl]-1H-pyrazol-3-YL}benzamide
CID 46107862
N-butyl-3-{[6-(4-fluorophenyl)pyridazin-3-yl]amino}benzamide
CID 50778651
3-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 72049428
6-Chloro-3-(4-fluoro-benzylamino)-pyridazine-4-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 10070305
3-[6-[[2-(2,4-Difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
CID 53495253
3-[6-[[2-(2-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
CID 53495948
3-[6-[[2-(3-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
CID 53496099
3-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide
CID 53496103
N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
CID 53496227

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide (CID 10429738) is N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccnnc2NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide?
The InChIKey is CUIABQQRQDABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(2,3)16-6-10-18(11-7-16)26-21(28)19-12-13-25-27-20(19)24-14-15-4-8-17(23)9-5-15/h4-13H,14H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide?
N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 10429738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).