3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide

C23H23N3O4 — CID 56500125

IUPAC3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
SMILESCOCCOc1ncccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H23N3O4/c1-16-10-11-18(15-20(16)26-21(27)17-7-4-3-5-8-17)22(28)25-19-9-6-12-24-23(19)30-14-13-29-2/h3-12,15H,13-14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyQJDLQCDYAVKVKF-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.92
Rot. Bonds8

About 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide

3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide (PubChem CID 56500125) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
PubChem CID56500125
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
SMILESCOCCOc1ncccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H23N3O4/c1-16-10-11-18(15-20(16)26-21(27)17-7-4-3-5-8-17)22(28)25-19-9-6-12-24-23(19)30-14-13-29-2/h3-12,15H,13-14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyQJDLQCDYAVKVKF-UHFFFAOYSA-N
XLogP3.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
CID 55783632
3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
CID 79467189
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[2-[[4-(4-methylphenyl)phenyl]methoxy]-3-pyridinyl]benzamide
CID 140808958
4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 56500245
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
N-(3-benzamido-4-methylphenyl)quinoline-7-carboxamide
CID 58842913
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide (CID 56500125) is 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide is COCCOc1ncccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is QJDLQCDYAVKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16-10-11-18(15-20(16)26-21(27)17-7-4-3-5-8-17)22(28)25-19-9-6-12-24-23(19)30-14-13-29-2/h3-12,15H,13-14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide?
3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 405.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 56500125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).