1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C25H29FN4O3 — CID 55331622

IUPAC1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)CCC2=O)c1
InChIInChI=1S/C25H29FN4O3/c1-17-3-4-18(2)22(15-17)30-24(31)10-9-21(28-30)25(32)27-16-23(29-11-13-33-14-12-29)19-5-7-20(26)8-6-19/h3-8,15,23H,9-14,16H2,1-2H3,(H,27,32)
InChIKeyWOCLOSCXMIVTCY-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.12
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55331622) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55331622
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)CCC2=O)c1
InChIInChI=1S/C25H29FN4O3/c1-17-3-4-18(2)22(15-17)30-24(31)10-9-21(28-30)25(32)27-16-23(29-11-13-33-14-12-29)19-5-7-20(26)8-6-19/h3-8,15,23H,9-14,16H2,1-2H3,(H,27,32)
InChIKeyWOCLOSCXMIVTCY-UHFFFAOYSA-N
XLogP3.12
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60535369
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43020306
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43007309
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-methyl-1H-indole-2-carboxamide
CID 55559687
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55331622) is 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is WOCLOSCXMIVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-17-3-4-18(2)22(15-17)30-24(31)10-9-21(28-30)25(32)27-16-23(29-11-13-33-14-12-29)19-5-7-20(26)8-6-19/h3-8,15,23H,9-14,16H2,1-2H3,(H,27,32).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55331622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).