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

C16H15N3O3 — CID 43069880

IUPAC3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(C#N)c2)cn1
InChIInChI=1S/C16H15N3O3/c1-21-7-8-22-15-6-5-14(11-18-15)19-16(20)13-4-2-3-12(9-13)10-17/h2-6,9,11H,7-8H2,1H3,(H,19,20)
InChIKeyCFUJQJNVSCLYLZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.23
Rot. Bonds6

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

3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide (PubChem CID 43069880) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
PubChem CID43069880
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(C#N)c2)cn1
InChIInChI=1S/C16H15N3O3/c1-21-7-8-22-15-6-5-14(11-18-15)19-16(20)13-4-2-3-12(9-13)10-17/h2-6,9,11H,7-8H2,1H3,(H,19,20)
InChIKeyCFUJQJNVSCLYLZ-UHFFFAOYSA-N
XLogP2.23
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.23
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

3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55635317
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide (CID 43069880) is 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide is COCCOc1ccc(NC(=O)c2cccc(C#N)c2)cn1.
What is the InChIKey of 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide?
The InChIKey is CFUJQJNVSCLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-7-8-22-15-6-5-14(11-18-15)19-16(20)13-4-2-3-12(9-13)10-17/h2-6,9,11H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide?
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide has a molecular weight of 297.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 43069880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).