1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol

C21H19N3O — CID 144572461

IUPAC1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
SMILES[H]/N=C(\c1ccc(C(=C)O)cc1)c1ccc(-c2cccnc2)cc1NC
InChIInChI=1S/C21H19N3O/c1-14(25)15-5-7-16(8-6-15)21(22)19-10-9-17(12-20(19)23-2)18-4-3-11-24-13-18/h3-13,22-23,25H,1H2,2H3/b22-21+
InChIKeyRIEVCIKYFPRLKQ-QURGRASLSA-N
MW329.40 g/mol
LogP4.74
Rot. Bonds5

About 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol

1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol (PubChem CID 144572461) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol.

Molecular Properties

Compound Name1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
PubChem CID144572461
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
SMILES[H]/N=C(\c1ccc(C(=C)O)cc1)c1ccc(-c2cccnc2)cc1NC
InChIInChI=1S/C21H19N3O/c1-14(25)15-5-7-16(8-6-15)21(22)19-10-9-17(12-20(19)23-2)18-4-3-11-24-13-18/h3-13,22-23,25H,1H2,2H3/b22-21+
InChIKeyRIEVCIKYFPRLKQ-QURGRASLSA-N
XLogP4.74
TPSA69.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine
CID 142333772
(2-borono-5-pyridin-3-ylphenyl)carbamic acid
CID 175306563
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline
CID 166722843
(2-methyl-5-pyridin-3-ylphenyl)hydrazine
CID 54381341
3-(4-fluorobenzenecarboximidoyl)-4-(methylamino)benzoic acid
CID 88569484
N-methyl-2-(pyridine-3-carboximidoyl)benzamide
CID 143221625
N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline
CID 88917763
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
N-methyl-4-pyridin-3-ylpyridin-2-amine
CID 56965171
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol?
The IUPAC name of 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol (CID 144572461) is 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol.
What is the SMILES notation for 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol?
The canonical SMILES for 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol is [H]/N=C(\c1ccc(C(=C)O)cc1)c1ccc(-c2cccnc2)cc1NC.
What is the InChIKey of 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol?
The InChIKey is RIEVCIKYFPRLKQ-QURGRASLSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14(25)15-5-7-16(8-6-15)21(22)19-10-9-17(12-20(19)23-2)18-4-3-11-24-13-18/h3-13,22-23,25H,1H2,2H3/b22-21+.
What are the key properties of 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol?
1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol has a molecular weight of 329.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol is sourced from PubChem (CID 144572461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).