5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C26H30N4O3 — CID 155553547

IUPAC5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESCOCCN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C26H30N4O3/c1-32-16-15-30-13-10-21(11-14-30)22-7-8-25(33-19-20-5-3-2-4-6-20)24(17-22)26(31)29-23-9-12-27-28-18-23/h2-9,12,17-18,21H,10-11,13-16,19H2,1H3,(H,27,29,31)
InChIKeyVNJZAHSJAHRBQG-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.13
Rot. Bonds9

About 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155553547) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155553547
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESCOCCN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C26H30N4O3/c1-32-16-15-30-13-10-21(11-14-30)22-7-8-25(33-19-20-5-3-2-4-6-20)24(17-22)26(31)29-23-9-12-27-28-18-23/h2-9,12,17-18,21H,10-11,13-16,19H2,1H3,(H,27,29,31)
InChIKeyVNJZAHSJAHRBQG-UHFFFAOYSA-N
XLogP4.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-methylpiperazine-1-carbonyl)chroman-3-carboxamide
CID 44124778
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)chroman-3,6-dicarboxamide
CID 44571470
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N6-dimethylchroman-3,6-dicarboxamide
CID 44571601
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)-N6-methylchroman-3,6-dicarboxamide
CID 44571681
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
2-[(Phenylmethyl)oxy]-N-3-pyridinyl-5-(4-pyridinyl)benzamide
CID 69936458
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
(3S)-7-N-methyl-5-N-(1-methylpyrazol-4-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119729

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155553547) is 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is COCCN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1.
What is the InChIKey of 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is VNJZAHSJAHRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-32-16-15-30-13-10-21(11-14-30)22-7-8-25(33-19-20-5-3-2-4-6-20)24(17-22)26(31)29-23-9-12-27-28-18-23/h2-9,12,17-18,21H,10-11,13-16,19H2,1H3,(H,27,29,31).
What are the key properties of 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 446.55 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155553547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).