4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile

C23H23N3O3 — CID 137306913

IUPAC4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile
SMILESCOCCCNc1cc(-c2ccc(C#N)cc2)cc(-c2cc(OC)ccc2O)n1
InChIInChI=1S/C23H23N3O3/c1-28-11-3-10-25-23-13-18(17-6-4-16(15-24)5-7-17)12-21(26-23)20-14-19(29-2)8-9-22(20)27/h4-9,12-14,27H,3,10-11H2,1-2H3,(H,25,26)
InChIKeyMAPVGNGODJWIOK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.45
Rot. Bonds8

About 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile

4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile (PubChem CID 137306913) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile
PubChem CID137306913
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile
SMILESCOCCCNc1cc(-c2ccc(C#N)cc2)cc(-c2cc(OC)ccc2O)n1
InChIInChI=1S/C23H23N3O3/c1-28-11-3-10-25-23-13-18(17-6-4-16(15-24)5-7-17)12-21(26-23)20-14-19(29-2)8-9-22(20)27/h4-9,12-14,27H,3,10-11H2,1-2H3,(H,25,26)
InChIKeyMAPVGNGODJWIOK-UHFFFAOYSA-N
XLogP4.45
TPSA87.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile 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-(2-hydroxy-5-methoxyphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-pyridinyl]benzonitrile
CID 137306931
4-[2-(2-hydroxy-5-methoxyphenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-4-pyridinyl]benzonitrile
CID 137306934
2-[4-(4-chloro-3-fluorophenyl)-6-(3-methoxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290856
2-[4-(4-chloro-3-fluorophenyl)-6-(3-propan-2-yloxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290865
2-[4-(4-chloro-3-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290858
2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
CID 137306954
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
4-methoxy(13C)benzonitrile
CID 175991125
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
3-[[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-yl]amino]propanenitrile
CID 3701721

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile (CID 137306913) is 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile is COCCCNc1cc(-c2ccc(C#N)cc2)cc(-c2cc(OC)ccc2O)n1.
What is the InChIKey of 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile?
The InChIKey is MAPVGNGODJWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-11-3-10-25-23-13-18(17-6-4-16(15-24)5-7-17)12-21(26-23)20-14-19(29-2)8-9-22(20)27/h4-9,12-14,27H,3,10-11H2,1-2H3,(H,25,26).
What are the key properties of 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile?
4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile has a molecular weight of 389.46 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 137306913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).