2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide

C23H20FN5O2 — CID 153325333

IUPAC2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
SMILESNCc1ccnc(Oc2ccccc2C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1
InChIInChI=1S/C23H20FN5O2/c24-19-11-17(5-6-20(19)29-10-9-26-15-29)14-28-23(30)18-3-1-2-4-21(18)31-22-12-16(13-25)7-8-27-22/h1-12,15H,13-14,25H2,(H,28,30)
InChIKeyGYCHHSLOZCNJRY-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.59
Rot. Bonds7

About 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide

2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 153325333) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID153325333
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
SMILESNCc1ccnc(Oc2ccccc2C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1
InChIInChI=1S/C23H20FN5O2/c24-19-11-17(5-6-20(19)29-10-9-26-15-29)14-28-23(30)18-3-1-2-4-21(18)31-22-12-16(13-25)7-8-27-22/h1-12,15H,13-14,25H2,(H,28,30)
InChIKeyGYCHHSLOZCNJRY-UHFFFAOYSA-N
XLogP3.59
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide 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

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 60584791
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 47799450
2-[3-[[(3-fluoro-4-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenoxy]acetamide
CID 136529496
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 47799492
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526385

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide (CID 153325333) is 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide is NCc1ccnc(Oc2ccccc2C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1.
What is the InChIKey of 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is GYCHHSLOZCNJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-19-11-17(5-6-20(19)29-10-9-26-15-29)14-28-23(30)18-3-1-2-4-21(18)31-22-12-16(13-25)7-8-27-22/h1-12,15H,13-14,25H2,(H,28,30).
What are the key properties of 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 153325333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).