3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide

C21H19N3O5 — CID 39269336

IUPAC3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccnc1
InChIInChI=1S/C21H19N3O5/c1-2-28-20-11-16(8-9-19(20)29-14-15-5-4-10-22-13-15)21(25)23-17-6-3-7-18(12-17)24(26)27/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyWOXYQGGXIOPCMP-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.22
Rot. Bonds8

About 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39269336) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39269336
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccnc1
InChIInChI=1S/C21H19N3O5/c1-2-28-20-11-16(8-9-19(20)29-14-15-5-4-10-22-13-15)21(25)23-17-6-3-7-18(12-17)24(26)27/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyWOXYQGGXIOPCMP-UHFFFAOYSA-N
XLogP4.22
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46440691
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 39269336) is 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is WOXYQGGXIOPCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-2-28-20-11-16(8-9-19(20)29-14-15-5-4-10-22-13-15)21(25)23-17-6-3-7-18(12-17)24(26)27/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 393.40 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39269336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).