N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide

C25H26N4O3 — CID 134800955

IUPACN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)c2)nn1
InChIInChI=1S/C25H26N4O3/c1-17-6-8-18(9-7-17)24(30)26-21-12-14-29(15-13-21)25(31)20-5-3-4-19(16-20)22-10-11-23(32-2)28-27-22/h3-11,16,21H,12-15H2,1-2H3,(H,26,30)
InChIKeyYSGUNWKHMSPLKR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide

N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide (PubChem CID 134800955) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide
PubChem CID134800955
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)c2)nn1
InChIInChI=1S/C25H26N4O3/c1-17-6-8-18(9-7-17)24(30)26-21-12-14-29(15-13-21)25(31)20-5-3-4-19(16-20)22-10-11-23(32-2)28-27-22/h3-11,16,21H,12-15H2,1-2H3,(H,26,30)
InChIKeyYSGUNWKHMSPLKR-UHFFFAOYSA-N
XLogP3.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
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
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)pyridazine-3-carboxamide
CID 66710466
N-(2-{[6-(4-methoxyphenyl)pyridazin-3-yl]oxy}ethyl)-3-(trifluoromethyl)benzamide
CID 8701814
N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-naphthamide
CID 41527745
3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
CID 95877842
N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800715
2-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 134800732

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide (CID 134800955) is N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide is COc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)c2)nn1.
What is the InChIKey of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide?
The InChIKey is YSGUNWKHMSPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-6-8-18(9-7-17)24(30)26-21-12-14-29(15-13-21)25(31)20-5-3-4-19(16-20)22-10-11-23(32-2)28-27-22/h3-11,16,21H,12-15H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide?
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134800955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).