N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

C19H21F3N4O3 — CID 55795168

IUPACN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1=O
InChIInChI=1S/C19H21F3N4O3/c1-2-7-26-17(27)6-5-16(24-26)18(28)23-15-4-3-13(12-14(15)19(20,21)22)25-8-10-29-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,23,28)
InChIKeyJAZRJMVQNUCPRY-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.76
Rot. Bonds5

About N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 55795168) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID55795168
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1=O
InChIInChI=1S/C19H21F3N4O3/c1-2-7-26-17(27)6-5-16(24-26)18(28)23-15-4-3-13(12-14(15)19(20,21)22)25-8-10-29-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,23,28)
InChIKeyJAZRJMVQNUCPRY-UHFFFAOYSA-N
XLogP2.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-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

1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30731594
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 34757785
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 78956966
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
4-imidazol-1-yl-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 55795064
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47838565
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972

Frequently Asked Questions

What is the IUPAC name of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 55795168) is N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1=O.
What is the InChIKey of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is JAZRJMVQNUCPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-2-7-26-17(27)6-5-16(24-26)18(28)23-15-4-3-13(12-14(15)19(20,21)22)25-8-10-29-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,23,28).
What are the key properties of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55795168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).