6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide

C15H17FN4O — CID 174677203

IUPAC6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
SMILESCC(C)(CNc1cc(C(N)=O)cnn1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-15(2,11-3-5-12(16)6-4-11)9-18-13-7-10(14(17)21)8-19-20-13/h3-8H,9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyJBJHJHWEAQYOFW-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.10
Rot. Bonds5

About 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide

6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide (PubChem CID 174677203) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
PubChem CID174677203
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
SMILESCC(C)(CNc1cc(C(N)=O)cnn1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-15(2,11-3-5-12(16)6-4-11)9-18-13-7-10(14(17)21)8-19-20-13/h3-8H,9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyJBJHJHWEAQYOFW-UHFFFAOYSA-N
XLogP2.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide
CID 54591637
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]benzamide;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(3-isocyanophenyl)-5-methylpyridazin-3-amine
CID 160815357
methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate
CID 54591946
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
CID 67451769
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
chloromethane;4-fluorobenzamide
CID 158476805
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
CID 118368939
[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-3-carbonyl]amino] 1-ethylcyclopropane-1-carboxylate
CID 118498083
N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 54591864

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
The IUPAC name of 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide (CID 174677203) is 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide is CC(C)(CNc1cc(C(N)=O)cnn1)c1ccc(F)cc1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
The InChIKey is JBJHJHWEAQYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-15(2,11-3-5-12(16)6-4-11)9-18-13-7-10(14(17)21)8-19-20-13/h3-8H,9H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide is sourced from PubChem (CID 174677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).