acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene

C62H75ClN24O13S2 — CID 158924722

IUPACacetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene
SMILESC1=CCCCC1.CC(N)=O.CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(NC(C)=O)cc1/N=c1/c(S(C)(=O)=O)cccn1O.CNC(=O)c1nnc(NC(C)=O)cc1Nc1ncccc1C.CNC(=O)c1nnc(NC(C)=O)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H16N6O5S.C14H16N6O4S.C14H16N6O2.C12H12ClN5O.C6H10.C2H5NO/c1-8(21)16-11-7-9(12(19-18-11)14(22)15-2)17-13-10(26(3,24)25)5-4-6-20(13)23;1-8(21)17-11-7-9(12(20-19-11)14(22)15-2)18-13-10(25(3,23)24)5-4-6-16-13;1-8-5-4-6-16-13(8)18-10-7-11(17-9(2)21)19-20-12(10)14(22)15-3;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-2-4-6-5-3-1;1-2(3)4/h4-7,23H,1-3H3,(H,15,22)(H,16,18,21);4-7H,1-3H3,(H,15,22)(H2,16,17,18,19,21);4-7H,1-3H3,(H,15,22)(H2,16,17,18,19,21);3-6H,1-2H3,(H,14,19)(H,15,16,17);1-2H,3-6H2;1H3,(H2,3,4)/b17-13-;;;;;
InChIKeyAISCSRYKZBTGMU-ZOJFRJQPSA-N
MW1464.02 g/mol
LogP4.59
Rot. Bonds16

About acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene

acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene (PubChem CID 158924722) has the molecular formula C62H75ClN24O13S2 and a molecular weight of 1464.02 g/mol. Its IUPAC name is acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene.

Molecular Properties

Compound Nameacetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene
PubChem CID158924722
Molecular FormulaC62H75ClN24O13S2
Molecular Weight1464.02 g/mol
Exact Mass1462.51
IUPAC Nameacetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene
SMILESC1=CCCCC1.CC(N)=O.CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(NC(C)=O)cc1/N=c1/c(S(C)(=O)=O)cccn1O.CNC(=O)c1nnc(NC(C)=O)cc1Nc1ncccc1C.CNC(=O)c1nnc(NC(C)=O)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H16N6O5S.C14H16N6O4S.C14H16N6O2.C12H12ClN5O.C6H10.C2H5NO/c1-8(21)16-11-7-9(12(19-18-11)14(22)15-2)17-13-10(26(3,24)25)5-4-6-20(13)23;1-8(21)17-11-7-9(12(20-19-11)14(22)15-2)18-13-10(25(3,23)24)5-4-6-16-13;1-8-5-4-6-16-13(8)18-10-7-11(17-9(2)21)19-20-12(10)14(22)15-3;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-2-4-6-5-3-1;1-2(3)4/h4-7,23H,1-3H3,(H,15,22)(H,16,18,21);4-7H,1-3H3,(H,15,22)(H2,16,17,18,19,21);4-7H,1-3H3,(H,15,22)(H2,16,17,18,19,21);3-6H,1-2H3,(H,14,19)(H,15,16,17);1-2H,3-6H2;1H3,(H2,3,4)/b17-13-;;;;;
InChIKeyAISCSRYKZBTGMU-ZOJFRJQPSA-N
XLogP4.59
TPSA530.47 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001464.02
LogP ≤ 54.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene 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

Nomelcitinib
CID 170678247
6-[[5-(difluoromethyl)pyridin-2-yl]amino]-4-[(3-methylsulfonylpyridin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620469
4-[(3-methylsulfonylpyridin-2-yl)amino]-N-(trideuteriomethyl)-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridazine-3-carboxamide
CID 149800698
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide
CID 158488347
6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-N-(trifluoromethyl)ethanamine;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-formyl-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 160325247
6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157472852
4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620471
4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[5-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620475
6-[[5-(acetamidomethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620515
6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150012229
6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150987606
methyl N-[2-[6-[[5-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]amino]-3-pyridinyl]propan-2-yl]carbamate
CID 151235096

Frequently Asked Questions

What is the IUPAC name of acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene?
The IUPAC name of acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene (CID 158924722) is acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene.
What is the SMILES notation for acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene?
The canonical SMILES for acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene is C1=CCCCC1.CC(N)=O.CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(NC(C)=O)cc1/N=c1/c(S(C)(=O)=O)cccn1O.CNC(=O)c1nnc(NC(C)=O)cc1Nc1ncccc1C.CNC(=O)c1nnc(NC(C)=O)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene?
The InChIKey is AISCSRYKZBTGMU-ZOJFRJQPSA-N. The full InChI is InChI=1S/C14H16N6O5S.C14H16N6O4S.C14H16N6O2.C12H12ClN5O.C6H10.C2H5NO/c1-8(21)16-11-7-9(12(19-18-11)14(22)15-2)17-13-10(26(3,24)25)5-4-6-20(13)23;1-8(21)17-11-7-9(12(20-19-11)14(22)15-2)18-13-10(25(3,23)24)5-4-6-16-13;1-8-5-4-6-16-13(8)18-10-7-11(17-9(2)21)19-20-12(10)14(22)15-3;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-2-4-6-5-3-1;1-2(3)4/h4-7,23H,1-3H3,(H,15,22)(H,16,18,21);4-7H,1-3H3,(H,15,22)(H2,16,17,18,19,21);4-7H,1-3H3,(H,15,22)(H2,16,17,18,19,21);3-6H,1-2H3,(H,14,19)(H,15,16,17);1-2H,3-6H2;1H3,(H2,3,4)/b17-13-;;;;;.
What are the key properties of acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene?
acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene has a molecular weight of 1464.02 g/mol, XLogP of 4.59, 16 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;6-acetamido-4-[(1-hydroxy-3-methylsulfonyl-2-pyridinylidene)amino]-N-methylpyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-acetamido-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;cyclohexene is sourced from PubChem (CID 158924722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).