5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline

C77H105N9O7 — CID 159986399

IUPAC5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
SMILESCCCOCCOCCOc1ccc(/C=C/c2ccc(CCC3=CC(C)(C)N(O)C3(C)C)cc2)cn1.CN(C)c1ccc(/C=C/c2ccc(NC3CC(C)(C)N(O)C3(C)C)nc2)cc1.CN(C)c1ccc(/C=C/c2ccc(OCC3=CC(C)(C)N(O)C3(C)C)nc2)cc1
InChIInChI=1S/C30H42N2O4.C24H31N3O2.C23H32N4O/c1-6-17-34-18-19-35-20-21-36-28-16-14-26(23-31-28)12-11-24-7-9-25(10-8-24)13-15-27-22-29(2,3)32(33)30(27,4)5;1-23(2)15-20(24(3,4)27(23)28)17-29-22-14-11-19(16-25-22)8-7-18-9-12-21(13-10-18)26(5)6;1-22(2)15-20(23(3,4)27(22)28)25-21-14-11-18(16-24-21)8-7-17-9-12-19(13-10-17)26(5)6/h7-12,14,16,22-23,33H,6,13,15,17-21H2,1-5H3;7-16,28H,17H2,1-6H3;7-14,16,20,28H,15H2,1-6H3,(H,24,25)/b12-11+;2*8-7+
InChIKeyBBYGVNJRIQITGA-WRPPGMKJSA-N
MW1268.74 g/mol
LogP15.83
Rot. Bonds25

About 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline

5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline (PubChem CID 159986399) has the molecular formula C77H105N9O7 and a molecular weight of 1268.74 g/mol. Its IUPAC name is 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
PubChem CID159986399
Molecular FormulaC77H105N9O7
Molecular Weight1268.74 g/mol
Exact Mass1267.81
IUPAC Name5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
SMILESCCCOCCOCCOc1ccc(/C=C/c2ccc(CCC3=CC(C)(C)N(O)C3(C)C)cc2)cn1.CN(C)c1ccc(/C=C/c2ccc(NC3CC(C)(C)N(O)C3(C)C)nc2)cc1.CN(C)c1ccc(/C=C/c2ccc(OCC3=CC(C)(C)N(O)C3(C)C)nc2)cc1
InChIInChI=1S/C30H42N2O4.C24H31N3O2.C23H32N4O/c1-6-17-34-18-19-35-20-21-36-28-16-14-26(23-31-28)12-11-24-7-9-25(10-8-24)13-15-27-22-29(2,3)32(33)30(27,4)5;1-23(2)15-20(24(3,4)27(23)28)17-29-22-14-11-19(16-25-22)8-7-18-9-12-21(13-10-18)26(5)6;1-22(2)15-20(23(3,4)27(22)28)25-21-14-11-18(16-24-21)8-7-17-9-12-19(13-10-17)26(5)6/h7-12,14,16,22-23,33H,6,13,15,17-21H2,1-5H3;7-16,28H,17H2,1-6H3;7-14,16,20,28H,15H2,1-6H3,(H,24,25)/b12-11+;2*8-7+
InChIKeyBBYGVNJRIQITGA-WRPPGMKJSA-N
XLogP15.83
TPSA164.51 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.74
LogP ≤ 515.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline 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

4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine
CID 144795223
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline
CID 164978420
1-[4-[2-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]-4-pyridinyl]phenyl]-3-benzyl-1-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]urea
CID 166690382
N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine
CID 167575709
6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 171495355
CID 172986307
CID 172986307

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline (CID 159986399) is 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline is CCCOCCOCCOc1ccc(/C=C/c2ccc(CCC3=CC(C)(C)N(O)C3(C)C)cc2)cn1.CN(C)c1ccc(/C=C/c2ccc(NC3CC(C)(C)N(O)C3(C)C)nc2)cc1.CN(C)c1ccc(/C=C/c2ccc(OCC3=CC(C)(C)N(O)C3(C)C)nc2)cc1.
What is the InChIKey of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is BBYGVNJRIQITGA-WRPPGMKJSA-N. The full InChI is InChI=1S/C30H42N2O4.C24H31N3O2.C23H32N4O/c1-6-17-34-18-19-35-20-21-36-28-16-14-26(23-31-28)12-11-24-7-9-25(10-8-24)13-15-27-22-29(2,3)32(33)30(27,4)5;1-23(2)15-20(24(3,4)27(23)28)17-29-22-14-11-19(16-25-22)8-7-18-9-12-21(13-10-18)26(5)6;1-22(2)15-20(23(3,4)27(22)28)25-21-14-11-18(16-24-21)8-7-17-9-12-19(13-10-17)26(5)6/h7-12,14,16,22-23,33H,6,13,15,17-21H2,1-5H3;7-16,28H,17H2,1-6H3;7-14,16,20,28H,15H2,1-6H3,(H,24,25)/b12-11+;2*8-7+.
What are the key properties of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 1268.74 g/mol, XLogP of 15.83, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 159986399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).