2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol

C21H25N3O2 — CID 46702693

IUPAC2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C21H25N3O2/c25-13-11-24(12-14-26)20-7-5-17(6-8-20)15-18-3-2-10-23-21(18)19-4-1-9-22-16-19/h1,4-9,15-16,25-26H,2-3,10-14H2/b18-15+
InChIKeyQIRLWTAHBKXZCC-OBGWFSINSA-N
MW351.45 g/mol
LogP2.54
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol (PubChem CID 46702693) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol
PubChem CID46702693
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C21H25N3O2/c25-13-11-24(12-14-26)20-7-5-17(6-8-20)15-18-3-2-10-23-21(18)19-4-1-9-22-16-19/h1,4-9,15-16,25-26H,2-3,10-14H2/b18-15+
InChIKeyQIRLWTAHBKXZCC-OBGWFSINSA-N
XLogP2.54
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol 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

Pheniramine
CID 4761
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)
CID 5713123
4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
4-(Pyridin-2-yl)aniline
CID 459518
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
CID 5716367
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide
CID 107464
4-(4-Dimethylaminostyryl)-1-methylpyridinium
CID 730769
4-[(Pyridin-4-yl)methyl]aniline
CID 307158
2-(2-(4-(Diethylamino)phenyl)vinyl)-1-ethylpyridinium iodide
CID 45049277
2-(4-(Dimethylamino)styryl)pyridine
CID 5376425
Phenyl 2-pyridyl ketoxime
CID 135427108

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol (CID 46702693) is 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol is OCCN(CCO)c1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol?
The InChIKey is QIRLWTAHBKXZCC-OBGWFSINSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-13-11-24(12-14-26)20-7-5-17(6-8-20)15-18-3-2-10-23-21(18)19-4-1-9-22-16-19/h1,4-9,15-16,25-26H,2-3,10-14H2/b18-15+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol has a molecular weight of 351.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]anilino]ethanol is sourced from PubChem (CID 46702693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).