N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C24H25FN4O2 — CID 75451898

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccc(F)c(N2CCC(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1
InChIInChI=1S/C24H25FN4O2/c1-16-8-9-20(25)21(14-16)28-12-10-18(11-13-28)26-24(31)23-22(30)15-17(2)29(27-23)19-6-4-3-5-7-19/h3-9,14-15,18H,10-13H2,1-2H3,(H,26,31)
InChIKeyMLBGTYQSLOMARF-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.39
Rot. Bonds4

About N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 75451898) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID75451898
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccc(F)c(N2CCC(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1
InChIInChI=1S/C24H25FN4O2/c1-16-8-9-20(25)21(14-16)28-12-10-18(11-13-28)26-24(31)23-22(30)15-17(2)29(27-23)19-6-4-3-5-7-19/h3-9,14-15,18H,10-13H2,1-2H3,(H,26,31)
InChIKeyMLBGTYQSLOMARF-UHFFFAOYSA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10961351
4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxamide
CID 1481283
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 8589909
2-diazo-3-oxo-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 76213983
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481279
US11690850, Example 57
CID 156391427
US11690850, Example 54
CID 156391464
US11690850, Example 49
CID 156391482
US11690850, Example 48
CID 156391485
US11690850, Example 59
CID 156391580
US11690850, Example 52
CID 156391715
US11690850, Example 27
CID 156391517

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 75451898) is N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1ccc(F)c(N2CCC(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is MLBGTYQSLOMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-8-9-20(25)21(14-16)28-12-10-18(11-13-28)26-24(31)23-22(30)15-17(2)29(27-23)19-6-4-3-5-7-19/h3-9,14-15,18H,10-13H2,1-2H3,(H,26,31).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 75451898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).