6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide

C20H18F2N4O — CID 133398315

IUPAC6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(Cc2ccccc2F)Cc2ccccc2F)nn1
InChIInChI=1S/C20H18F2N4O/c21-16-7-3-1-5-13(16)11-15(12-14-6-2-4-8-17(14)22)24-19-10-9-18(20(23)27)25-26-19/h1-10,15H,11-12H2,(H2,23,27)(H,24,26)
InChIKeySXWWZQBAWQPYIR-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.12
Rot. Bonds7

About 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide

6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide (PubChem CID 133398315) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide
PubChem CID133398315
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(Cc2ccccc2F)Cc2ccccc2F)nn1
InChIInChI=1S/C20H18F2N4O/c21-16-7-3-1-5-13(16)11-15(12-14-6-2-4-8-17(14)22)24-19-10-9-18(20(23)27)25-26-19/h1-10,15H,11-12H2,(H2,23,27)(H,24,26)
InChIKeySXWWZQBAWQPYIR-UHFFFAOYSA-N
XLogP3.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
6-(1-pyrazol-1-ylpropan-2-ylamino)pyridazine-3-carboxamide
CID 79099266
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
CID 79098153
6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109119228
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide (CID 133398315) is 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NC(Cc2ccccc2F)Cc2ccccc2F)nn1.
What is the InChIKey of 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide?
The InChIKey is SXWWZQBAWQPYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-16-7-3-1-5-13(16)11-15(12-14-6-2-4-8-17(14)22)24-19-10-9-18(20(23)27)25-26-19/h1-10,15H,11-12H2,(H2,23,27)(H,24,26).
What are the key properties of 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide?
6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-bis(2-fluorophenyl)propan-2-ylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133398315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).