N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C22H14BrFN4O3 — CID 60613100

IUPACN-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H14BrFN4O3/c23-14-2-1-3-18(12-14)31-20-10-6-16(13-25-20)26-22(30)19-9-11-21(29)28(27-19)17-7-4-15(24)5-8-17/h1-13H,(H,26,30)
InChIKeyBUVUOSDQNGJCEE-UHFFFAOYSA-N
MW481.28 g/mol
LogP4.57
Rot. Bonds5

About N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 60613100) has the molecular formula C22H14BrFN4O3 and a molecular weight of 481.28 g/mol. Its IUPAC name is N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID60613100
Molecular FormulaC22H14BrFN4O3
Molecular Weight481.28 g/mol
Exact Mass480.02
IUPAC NameN-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H14BrFN4O3/c23-14-2-1-3-18(12-14)31-20-10-6-16(13-25-20)26-22(30)19-9-11-21(29)28(27-19)17-7-4-15(24)5-8-17/h1-13H,(H,26,30)
InChIKeyBUVUOSDQNGJCEE-UHFFFAOYSA-N
XLogP4.57
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71879575
N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75375551
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 60612803
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-propylsulfonylbenzamide
CID 60613046
1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 55631329
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
CID 141497654
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide
CID 136523875

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 60613100) is N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BUVUOSDQNGJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN4O3/c23-14-2-1-3-18(12-14)31-20-10-6-16(13-25-20)26-22(30)19-9-11-21(29)28(27-19)17-7-4-15(24)5-8-17/h1-13H,(H,26,30).
What are the key properties of N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 481.28 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 60613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).