3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide

C20H26N4O2 — CID 50816215

IUPAC3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C20H26N4O2/c1-2-3-4-10-21-20(25)17-7-5-6-16(15-17)18-8-9-19(23-22-18)24-11-13-26-14-12-24/h5-9,15H,2-4,10-14H2,1H3,(H,21,25)
InChIKeyNVWGZAUCGIZLLP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.90
Rot. Bonds7

About 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide

3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide (PubChem CID 50816215) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide.

Molecular Properties

Compound Name3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
PubChem CID50816215
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C20H26N4O2/c1-2-3-4-10-21-20(25)17-7-5-6-16(15-17)18-8-9-19(23-22-18)24-11-13-26-14-12-24/h5-9,15H,2-4,10-14H2,1H3,(H,21,25)
InChIKeyNVWGZAUCGIZLLP-UHFFFAOYSA-N
XLogP2.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.90
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-(3-phenylpropyl)benzamide
CID 50816070
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-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815977
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
N-cyclohexyl-N-methyl-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815959
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699

Frequently Asked Questions

What is the IUPAC name of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide?
The IUPAC name of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide (CID 50816215) is 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide.
What is the SMILES notation for 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide?
The canonical SMILES for 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide is CCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide?
The InChIKey is NVWGZAUCGIZLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-3-4-10-21-20(25)17-7-5-6-16(15-17)18-8-9-19(23-22-18)24-11-13-26-14-12-24/h5-9,15H,2-4,10-14H2,1H3,(H,21,25).
What are the key properties of 3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide?
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.90, 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-pentylbenzamide is sourced from PubChem (CID 50816215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).