3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide

C21H28N2O5 — CID 30832504

IUPAC3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cccnc2OCC)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O5/c1-5-25-17-12-16(13-18(26-6-2)19(17)27-7-3)20(24)23-14-15-10-9-11-22-21(15)28-8-4/h9-13H,5-8,14H2,1-4H3,(H,23,24)
InChIKeyPGDLQXSBGFKHNB-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.61
Rot. Bonds11

About 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide

3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide (PubChem CID 30832504) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
PubChem CID30832504
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cccnc2OCC)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O5/c1-5-25-17-12-16(13-18(26-6-2)19(17)27-7-3)20(24)23-14-15-10-9-11-22-21(15)28-8-4/h9-13H,5-8,14H2,1-4H3,(H,23,24)
InChIKeyPGDLQXSBGFKHNB-UHFFFAOYSA-N
XLogP3.61
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
methyl 3-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]-5-nitrobenzoate
CID 38537742
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
CID 12847830

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide (CID 30832504) is 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide is CCOc1cc(C(=O)NCc2cccnc2OCC)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is PGDLQXSBGFKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-5-25-17-12-16(13-18(26-6-2)19(17)27-7-3)20(24)23-14-15-10-9-11-22-21(15)28-8-4/h9-13H,5-8,14H2,1-4H3,(H,23,24).
What are the key properties of 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 388.46 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 30832504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).