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

C27H34N4O5 — CID 43020306

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)N2CCOCC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-18-5-6-19(2)22(15-18)31-26(32)10-8-21(29-31)27(33)28-17-23(30-11-13-36-14-12-30)20-7-9-24(34-3)25(16-20)35-4/h5-7,9,15-16,23H,8,10-14,17H2,1-4H3,(H,28,33)
InChIKeyMFQVXRLAMQMCLC-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.99
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 43020306) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID43020306
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)N2CCOCC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-18-5-6-19(2)22(15-18)31-26(32)10-8-21(29-31)27(33)28-17-23(30-11-13-36-14-12-30)20-7-9-24(34-3)25(16-20)35-4/h5-7,9,15-16,23H,8,10-14,17H2,1-4H3,(H,28,33)
InChIKeyMFQVXRLAMQMCLC-UHFFFAOYSA-N
XLogP2.99
TPSA92.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-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-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60535369
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55331622
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 29360681
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55388124
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24646979
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39110513
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111312897

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 43020306) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(C(CNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MFQVXRLAMQMCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-18-5-6-19(2)22(15-18)31-26(32)10-8-21(29-31)27(33)28-17-23(30-11-13-36-14-12-30)20-7-9-24(34-3)25(16-20)35-4/h5-7,9,15-16,23H,8,10-14,17H2,1-4H3,(H,28,33).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 43020306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).