5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C23H24N4O3 — CID 155511739

IUPAC5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESC[C@@H]1COCCN1c1ccc(OCc2ccccc2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C23H24N4O3/c1-17-15-29-12-11-27(17)20-7-8-22(30-16-18-5-3-2-4-6-18)21(13-20)23(28)26-19-9-10-24-25-14-19/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,26,28)/t17-/m1/s1
InChIKeyRMQJXUQZNIBWQJ-QGZVFWFLSA-N
MW404.47 g/mol
LogP3.53
Rot. Bonds6

About 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155511739) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155511739
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESC[C@@H]1COCCN1c1ccc(OCc2ccccc2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C23H24N4O3/c1-17-15-29-12-11-27(17)20-7-8-22(30-16-18-5-3-2-4-6-18)21(13-20)23(28)26-19-9-10-24-25-14-19/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,26,28)/t17-/m1/s1
InChIKeyRMQJXUQZNIBWQJ-QGZVFWFLSA-N
XLogP3.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155511739) is 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is C[C@@H]1COCCN1c1ccc(OCc2ccccc2)c(C(=O)Nc2ccnnc2)c1.
What is the InChIKey of 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is RMQJXUQZNIBWQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17-15-29-12-11-27(17)20-7-8-22(30-16-18-5-3-2-4-6-18)21(13-20)23(28)26-19-9-10-24-25-14-19/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,26,28)/t17-/m1/s1.
What are the key properties of 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155511739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).