2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide

C20H15N3O2 — CID 118911656

IUPAC2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESN#Cc1ccc(COc2ccccc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H15N3O2/c21-12-15-7-9-16(10-8-15)14-25-19-6-2-1-5-18(19)20(24)23-17-4-3-11-22-13-17/h1-11,13H,14H2,(H,23,24)
InChIKeyPQEUNFLGALDGNP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.78
Rot. Bonds5

About 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911656) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911656
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESN#Cc1ccc(COc2ccccc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H15N3O2/c21-12-15-7-9-16(10-8-15)14-25-19-6-2-1-5-18(19)20(24)23-17-4-3-11-22-13-17/h1-11,13H,14H2,(H,23,24)
InChIKeyPQEUNFLGALDGNP-UHFFFAOYSA-N
XLogP3.78
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911752
(E)-3-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]-2-cyano-N-pyridin-3-ylprop-2-enamide
CID 126150937
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911692
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
CID 69301058
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
2-[(4-fluorophenyl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37187296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 118911656) is 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide is N#Cc1ccc(COc2ccccc2C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is PQEUNFLGALDGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-12-15-7-9-16(10-8-15)14-25-19-6-2-1-5-18(19)20(24)23-17-4-3-11-22-13-17/h1-11,13H,14H2,(H,23,24).
What are the key properties of 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 329.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).