2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol

C28H30N4O2 — CID 91200178

IUPAC2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1N(CCN(Cc1ccccc1O)c1cccnc1C)Cc1ccccc1O
InChIInChI=1S/C28H30N4O2/c1-21-25(11-7-15-29-21)31(19-23-9-3-5-13-27(23)33)17-18-32(26-12-8-16-30-22(26)2)20-24-10-4-6-14-28(24)34/h3-16,33-34H,17-20H2,1-2H3
InChIKeyFYBOOHOXPCNQNK-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.22
Rot. Bonds9

About 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol

2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 91200178) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol
PubChem CID91200178
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1N(CCN(Cc1ccccc1O)c1cccnc1C)Cc1ccccc1O
InChIInChI=1S/C28H30N4O2/c1-21-25(11-7-15-29-21)31(19-23-9-3-5-13-27(23)33)17-18-32(26-12-8-16-30-22(26)2)20-24-10-4-6-14-28(24)34/h3-16,33-34H,17-20H2,1-2H3
InChIKeyFYBOOHOXPCNQNK-UHFFFAOYSA-N
XLogP5.22
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol with MolForge

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
CID 744728
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
4-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
CID 155528448
3-[8-Amino-3-(3-hydroxyphenyl)pyrido[3,4-b]pyrazin-2-yl]phenol
CID 17755301

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol (CID 91200178) is 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol is Cc1ncccc1N(CCN(Cc1ccccc1O)c1cccnc1C)Cc1ccccc1O.
What is the InChIKey of 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is FYBOOHOXPCNQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-21-25(11-7-15-29-21)31(19-23-9-3-5-13-27(23)33)17-18-32(26-12-8-16-30-22(26)2)20-24-10-4-6-14-28(24)34/h3-16,33-34H,17-20H2,1-2H3.
What are the key properties of 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol?
2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 454.57 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 91200178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).