2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol

C26H37N5O2 — CID 144574653

IUPAC2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol
SMILESCOc1cc(-c2cccnc2)cc(O)c1/C(N)=C/C=C(\N)N(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H37N5O2/c1-25(2)14-19(15-26(3,4)30-25)31(5)23(28)10-9-20(27)24-21(32)12-18(13-22(24)33-6)17-8-7-11-29-16-17/h7-13,16,19,30,32H,14-15,27-28H2,1-6H3/b20-9-,23-10+
InChIKeyKDRASXXGJLWFMC-MFGSSXBZSA-N
MW451.62 g/mol
LogP3.80
Rot. Bonds6

About 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol

2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol (PubChem CID 144574653) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol
PubChem CID144574653
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol
SMILESCOc1cc(-c2cccnc2)cc(O)c1/C(N)=C/C=C(\N)N(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H37N5O2/c1-25(2)14-19(15-26(3,4)30-25)31(5)23(28)10-9-20(27)24-21(32)12-18(13-22(24)33-6)17-8-7-11-29-16-17/h7-13,16,19,30,32H,14-15,27-28H2,1-6H3/b20-9-,23-10+
InChIKeyKDRASXXGJLWFMC-MFGSSXBZSA-N
XLogP3.80
TPSA109.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol 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-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
1-[4-[5-(3,5-Dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
CID 118392585
5,5-Dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride
CID 135624410
7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol
CID 71885
2,2-dimethyl-7-pentyl-4-[1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol;hydrate;hydrochloride
CID 44522652
1-[4-[5-(3,5-Dimethoxyphenyl)-4-methyl-3-pyridinyl]phenyl]piperazine
CID 156012218
Cambridge id 5591003
CID 2854407
2-[4-(3-Methoxyphenyl)-2-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 20970464
2,2-dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-ylmethylidene)-3H-chromen-5-ol
CID 135925080
(4E)-2,2-dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-ylmethylidene)-3H-chromen-5-ol
CID 136258174
(E)-4-((5,6-Dihydro-[2,3'-bipyridin]-3(4H)-ylidene)methyl)-3-methoxyphenol
CID 136657658

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol?
The IUPAC name of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol (CID 144574653) is 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol.
What is the SMILES notation for 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol?
The canonical SMILES for 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol is COc1cc(-c2cccnc2)cc(O)c1/C(N)=C/C=C(\N)N(C)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol?
The InChIKey is KDRASXXGJLWFMC-MFGSSXBZSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-25(2)14-19(15-26(3,4)30-25)31(5)23(28)10-9-20(27)24-21(32)12-18(13-22(24)33-6)17-8-7-11-29-16-17/h7-13,16,19,30,32H,14-15,27-28H2,1-6H3/b20-9-,23-10+.
What are the key properties of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol?
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol has a molecular weight of 451.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol is sourced from PubChem (CID 144574653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).