N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

C25H27FN4O3 — CID 53025038

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)c(OC)c1
InChIInChI=1S/C25H27FN4O3/c1-32-21-10-7-18(23(14-21)33-2)15-27-25(31)19-4-3-13-30(16-19)24-12-11-22(28-29-24)17-5-8-20(26)9-6-17/h5-12,14,19H,3-4,13,15-16H2,1-2H3,(H,27,31)
InChIKeyYDIMKXWKGXROER-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.83
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 53025038) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID53025038
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)c(OC)c1
InChIInChI=1S/C25H27FN4O3/c1-32-21-10-7-18(23(14-21)33-2)15-27-25(31)19-4-3-13-30(16-19)24-12-11-22(28-29-24)17-5-8-20(26)9-6-17/h5-12,14,19H,3-4,13,15-16H2,1-2H3,(H,27,31)
InChIKeyYDIMKXWKGXROER-UHFFFAOYSA-N
XLogP3.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866325
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866322
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071111
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
N-[(2-methoxyphenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71706569
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-3-carboxamide
CID 121071300
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 53025038) is N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is YDIMKXWKGXROER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-32-21-10-7-18(23(14-21)33-2)15-27-25(31)19-4-3-13-30(16-19)24-12-11-22(28-29-24)17-5-8-20(26)9-6-17/h5-12,14,19H,3-4,13,15-16H2,1-2H3,(H,27,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53025038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).