N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide

C17H21N3O2 — CID 119506040

IUPACN-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCNCCNC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C17H21N3O2/c1-2-18-9-10-20-17(21)15-6-3-7-16(11-15)22-13-14-5-4-8-19-12-14/h3-8,11-12,18H,2,9-10,13H2,1H3,(H,20,21)
InChIKeyBWASNZSSAZHOGA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.00
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 119506040) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID119506040
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCNCCNC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C17H21N3O2/c1-2-18-9-10-20-17(21)15-6-3-7-16(11-15)22-13-14-5-4-8-19-12-14/h3-8,11-12,18H,2,9-10,13H2,1H3,(H,20,21)
InChIKeyBWASNZSSAZHOGA-UHFFFAOYSA-N
XLogP2.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 119506040) is N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide is CCNCCNC(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is BWASNZSSAZHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-18-9-10-20-17(21)15-6-3-7-16(11-15)22-13-14-5-4-8-19-12-14/h3-8,11-12,18H,2,9-10,13H2,1H3,(H,20,21).
What are the key properties of N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 119506040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).