3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide

C24H26N4O2 — CID 50816070

IUPAC3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C24H26N4O2/c29-24(25-13-5-8-19-6-2-1-3-7-19)21-10-4-9-20(18-21)22-11-12-23(27-26-22)28-14-16-30-17-15-28/h1-4,6-7,9-12,18H,5,8,13-17H2,(H,25,29)
InChIKeyIYHZBTFEVHYARP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.34
Rot. Bonds7

About 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide

3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide (PubChem CID 50816070) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
PubChem CID50816070
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C24H26N4O2/c29-24(25-13-5-8-19-6-2-1-3-7-19)21-10-4-9-20(18-21)22-11-12-23(27-26-22)28-14-16-30-17-15-28/h1-4,6-7,9-12,18H,5,8,13-17H2,(H,25,29)
InChIKeyIYHZBTFEVHYARP-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 46375087
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375075
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345

Frequently Asked Questions

What is the IUPAC name of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide (CID 50816070) is 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide?
The InChIKey is IYHZBTFEVHYARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(25-13-5-8-19-6-2-1-3-7-19)21-10-4-9-20(18-21)22-11-12-23(27-26-22)28-14-16-30-17-15-28/h1-4,6-7,9-12,18H,5,8,13-17H2,(H,25,29).
What are the key properties of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide?
3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 50816070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).