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

C25H26N4O3 — CID 134801985

IUPACN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)c2)nn1
InChIInChI=1S/C25H26N4O3/c1-17-6-3-4-9-21(17)24(30)26-20-12-14-29(15-13-20)25(31)19-8-5-7-18(16-19)22-10-11-23(32-2)28-27-22/h3-11,16,20H,12-15H2,1-2H3,(H,26,30)
InChIKeyHUXZWLIXWFLYOV-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.50
Rot. Bonds5

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

N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 134801985) 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]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID134801985
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)c2)nn1
InChIInChI=1S/C25H26N4O3/c1-17-6-3-4-9-21(17)24(30)26-20-12-14-29(15-13-20)25(31)19-8-5-7-18(16-19)22-10-11-23(32-2)28-27-22/h3-11,16,20H,12-15H2,1-2H3,(H,26,30)
InChIKeyHUXZWLIXWFLYOV-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-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800868
2-methoxy-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803210
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
CID 134803644
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
CID 39511020

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide (CID 134801985) is N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide is COc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)c2)nn1.
What is the InChIKey of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is HUXZWLIXWFLYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-6-3-4-9-21(17)24(30)26-20-12-14-29(15-13-20)25(31)19-8-5-7-18(16-19)22-10-11-23(32-2)28-27-22/h3-11,16,20H,12-15H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 134801985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).