3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide

C19H24N2O4 — CID 669602

IUPAC3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2cccnc2)cc(OCC)c1OCC
InChIInChI=1S/C19H24N2O4/c1-4-23-16-10-15(11-17(24-5-2)18(16)25-6-3)19(22)21-13-14-8-7-9-20-12-14/h7-12H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyOLHDMYXSPDQOED-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.21
Rot. Bonds9

About 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide

3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 669602) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID669602
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2cccnc2)cc(OCC)c1OCC
InChIInChI=1S/C19H24N2O4/c1-4-23-16-10-15(11-17(24-5-2)18(16)25-6-3)19(22)21-13-14-8-7-9-20-12-14/h7-12H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyOLHDMYXSPDQOED-UHFFFAOYSA-N
XLogP3.21
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 3405367
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide (CID 669602) is 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide is CCOc1cc(C(=O)NCc2cccnc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OLHDMYXSPDQOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-23-16-10-15(11-17(24-5-2)18(16)25-6-3)19(22)21-13-14-8-7-9-20-12-14/h7-12H,4-6,13H2,1-3H3,(H,21,22).
What are the key properties of 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide?
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 669602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).