3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

C17H16N4O3S — CID 25345669

IUPAC3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nncs2)ccc1OCc1cccnc1
InChIInChI=1S/C17H16N4O3S/c1-2-23-15-8-13(16(22)20-17-21-19-11-25-17)5-6-14(15)24-10-12-4-3-7-18-9-12/h3-9,11H,2,10H2,1H3,(H,20,21,22)
InChIKeyOLCZYOJAVDPFDT-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.16
Rot. Bonds7

About 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 25345669) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID25345669
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nncs2)ccc1OCc1cccnc1
InChIInChI=1S/C17H16N4O3S/c1-2-23-15-8-13(16(22)20-17-21-19-11-25-17)5-6-14(15)24-10-12-4-3-7-18-9-12/h3-9,11H,2,10H2,1H3,(H,20,21,22)
InChIKeyOLCZYOJAVDPFDT-UHFFFAOYSA-N
XLogP3.16
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25349706
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39105513
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 25345669) is 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nncs2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OLCZYOJAVDPFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-2-23-15-8-13(16(22)20-17-21-19-11-25-17)5-6-14(15)24-10-12-4-3-7-18-9-12/h3-9,11H,2,10H2,1H3,(H,20,21,22).
What are the key properties of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 356.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 25345669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).