3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide

C24H25N3O4 — CID 55783632

IUPAC3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C24H25N3O4/c1-17-8-10-20(14-21(17)27-24(29)19-6-4-3-5-7-19)23(28)26-16-18-9-11-22(25-15-18)31-13-12-30-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRXPXANOWDFDGEW-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.60
Rot. Bonds9

About 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide

3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide (PubChem CID 55783632) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
PubChem CID55783632
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C24H25N3O4/c1-17-8-10-20(14-21(17)27-24(29)19-6-4-3-5-7-19)23(28)26-16-18-9-11-22(25-15-18)31-13-12-30-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRXPXANOWDFDGEW-UHFFFAOYSA-N
XLogP3.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.60
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

N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
CID 56500125
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23906553
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55744827

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide (CID 55783632) is 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide is COCCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cn1.
What is the InChIKey of 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide?
The InChIKey is RXPXANOWDFDGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17-8-10-20(14-21(17)27-24(29)19-6-4-3-5-7-19)23(28)26-16-18-9-11-22(25-15-18)31-13-12-30-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide?
3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 55783632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).