N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide

C21H19N5O4 — CID 7422468

IUPACN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N5O4/c27-21(15-4-6-18(7-5-15)26(28)29)22-17-3-1-2-16(14-17)19-8-9-20(24-23-19)25-10-12-30-13-11-25/h1-9,14H,10-13H2,(H,22,27)
InChIKeyGEXXYRFUWYWVDJ-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.14
Rot. Bonds5

About N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide

N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide (PubChem CID 7422468) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
PubChem CID7422468
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N5O4/c27-21(15-4-6-18(7-5-15)26(28)29)22-17-3-1-2-16(14-17)19-8-9-20(24-23-19)25-10-12-30-13-11-25/h1-9,14H,10-13H2,(H,22,27)
InChIKeyGEXXYRFUWYWVDJ-UHFFFAOYSA-N
XLogP3.14
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzamide
CID 43991324
2-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-4-nitrobenzamide
CID 41077615
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide (CID 7422468) is N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide?
The InChIKey is GEXXYRFUWYWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c27-21(15-4-6-18(7-5-15)26(28)29)22-17-3-1-2-16(14-17)19-8-9-20(24-23-19)25-10-12-30-13-11-25/h1-9,14H,10-13H2,(H,22,27).
What are the key properties of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide?
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide has a molecular weight of 405.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 7422468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).