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

C24H25FN4O3 — CID 55958775

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1F
InChIInChI=1S/C24H25FN4O3/c1-32-22-9-7-17(15-20(22)25)16-28-13-11-18(12-14-28)26-24(31)21-8-10-23(30)29(27-21)19-5-3-2-4-6-19/h2-10,15,18H,11-14,16H2,1H3,(H,26,31)
InChIKeyIFPRDRPLQDPANH-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.77
Rot. Bonds6

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

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55958775) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55958775
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1F
InChIInChI=1S/C24H25FN4O3/c1-32-22-9-7-17(15-20(22)25)16-28-13-11-18(12-14-28)26-24(31)21-8-10-23(30)29(27-21)19-5-3-2-4-6-19/h2-10,15,18H,11-14,16H2,1H3,(H,26,31)
InChIKeyIFPRDRPLQDPANH-UHFFFAOYSA-N
XLogP2.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55958899
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-phenylbutan-2-yl)urea
CID 55909734
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55957752
benzyl N-[4-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-oxobutyl]carbamate
CID 55958908

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 55958775) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is IFPRDRPLQDPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-32-22-9-7-17(15-20(22)25)16-28-13-11-18(12-14-28)26-24(31)21-8-10-23(30)29(27-21)19-5-3-2-4-6-19/h2-10,15,18H,11-14,16H2,1H3,(H,26,31).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55958775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).