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

C25H30N4O3 — CID 24505069

IUPAC1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-6-8-20(9-7-18)23(17-28-12-14-32-15-13-28)26-25(31)22-10-11-24(30)29(27-22)21-5-3-4-19(2)16-21/h3-9,16,23H,10-15,17H2,1-2H3,(H,26,31)
InChIKeySNZNUBNJHWUJMI-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.98
Rot. Bonds6

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

1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24505069) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24505069
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-6-8-20(9-7-18)23(17-28-12-14-32-15-13-28)26-25(31)22-10-11-24(30)29(27-22)21-5-3-4-19(2)16-21/h3-9,16,23H,10-15,17H2,1-2H3,(H,26,31)
InChIKeySNZNUBNJHWUJMI-UHFFFAOYSA-N
XLogP2.98
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766088
methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate
CID 42920272
(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144809
(E)-3-(3-methylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144807
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30246165
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60535369
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24505069) is 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C(CN2CCOCC2)NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is SNZNUBNJHWUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-6-8-20(9-7-18)23(17-28-12-14-32-15-13-28)26-25(31)22-10-11-24(30)29(27-22)21-5-3-4-19(2)16-21/h3-9,16,23H,10-15,17H2,1-2H3,(H,26,31).
What are the key properties of 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24505069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).