2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

C23H21N3O3 — CID 55783471

IUPAC2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cn1
InChIInChI=1S/C23H21N3O3/c1-28-12-13-29-22-11-10-17(15-25-22)16-26-23(27)21-9-5-4-8-20(21)19-7-3-2-6-18(19)14-24/h2-11,15H,12-13,16H2,1H3,(H,26,27)
InChIKeyBRVGTTUOCOJXGI-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.58
Rot. Bonds8

About 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55783471) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55783471
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cn1
InChIInChI=1S/C23H21N3O3/c1-28-12-13-29-22-11-10-17(15-25-22)16-26-23(27)21-9-5-4-8-20(21)19-7-3-2-6-18(19)14-24/h2-11,15H,12-13,16H2,1H3,(H,26,27)
InChIKeyBRVGTTUOCOJXGI-UHFFFAOYSA-N
XLogP3.58
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
2-benzyl-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51316857
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55783917

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (CID 55783471) is 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is COCCOc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cn1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is BRVGTTUOCOJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-12-13-29-22-11-10-17(15-25-22)16-26-23(27)21-9-5-4-8-20(21)19-7-3-2-6-18(19)14-24/h2-11,15H,12-13,16H2,1H3,(H,26,27).
What are the key properties of 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55783471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).