2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

C25H26N4O4 — CID 134802874

IUPAC2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)nn1
InChIInChI=1S/C25H26N4O4/c1-32-22-10-6-5-9-20(22)24(30)26-17-13-15-29(16-14-17)25(31)19-8-4-3-7-18(19)21-11-12-23(33-2)28-27-21/h3-12,17H,13-16H2,1-2H3,(H,26,30)
InChIKeyRIVAEZFJJAJZSJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.20
Rot. Bonds6

About 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (PubChem CID 134802874) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
PubChem CID134802874
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)nn1
InChIInChI=1S/C25H26N4O4/c1-32-22-10-6-5-9-20(22)24(30)26-17-13-15-29(16-14-17)25(31)19-8-4-3-7-18(19)21-11-12-23(33-2)28-27-21/h3-12,17H,13-16H2,1-2H3,(H,26,30)
InChIKeyRIVAEZFJJAJZSJ-UHFFFAOYSA-N
XLogP3.20
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 91972003
2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
CID 1887616
3-(3-methoxyphenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 44525826
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
N-(1-(3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-2-methoxybenzamide
CID 49665544
(2-Methoxyphenyl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 53616416
3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
CID 95877842
2-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 134800732
[4-(6-Methoxypyridazin-3-yl)phenyl]-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 134800809
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800856

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (CID 134802874) is 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is COc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)nn1.
What is the InChIKey of 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is RIVAEZFJJAJZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-22-10-6-5-9-20(22)24(30)26-17-13-15-29(16-14-17)25(31)19-8-4-3-7-18(19)21-11-12-23(33-2)28-27-21/h3-12,17H,13-16H2,1-2H3,(H,26,30).
What are the key properties of 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134802874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).