N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide

C23H23N5O4 — CID 11743587

IUPACN-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nnc(-c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H23N5O4/c29-23(24-9-10-27-11-13-32-14-12-27)22-20(18-7-4-8-19(15-18)28(30)31)16-21(25-26-22)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,24,29)
InChIKeyIIXAHZXVXXSYMD-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.78
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide

N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide (PubChem CID 11743587) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
PubChem CID11743587
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nnc(-c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H23N5O4/c29-23(24-9-10-27-11-13-32-14-12-27)22-20(18-7-4-8-19(15-18)28(30)31)16-21(25-26-22)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,24,29)
InChIKeyIIXAHZXVXXSYMD-UHFFFAOYSA-N
XLogP2.78
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.78
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'}

Analyze N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide
CID 19815950
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720
(2R)-2-(2-morpholin-4-ylethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
CID 7166204
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
CID 66745649
2-[3-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 135547944
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
CID 6410843
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
N-(2-morpholin-4-ylethyl)-4-nitro-2-[2-oxo-1-tri(propan-2-yl)silylpropyl]benzamide
CID 175311487
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide (CID 11743587) is N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide is O=C(NCCN1CCOCC1)c1nnc(-c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide?
The InChIKey is IIXAHZXVXXSYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c29-23(24-9-10-27-11-13-32-14-12-27)22-20(18-7-4-8-19(15-18)28(30)31)16-21(25-26-22)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,24,29).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 11743587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).