2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide

C20H26FN3O3 — CID 176689227

IUPAC2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
SMILESCCOc1cccc(OCCN(C)C)c1C(=O)Nc1cnc(CC)c(F)c1
InChIInChI=1S/C20H26FN3O3/c1-5-16-15(21)12-14(13-22-16)23-20(25)19-17(26-6-2)8-7-9-18(19)27-11-10-24(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,25)
InChIKeyGFJCDNVQNJRIRU-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.37
Rot. Bonds9

About 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide

2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide (PubChem CID 176689227) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
PubChem CID176689227
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
SMILESCCOc1cccc(OCCN(C)C)c1C(=O)Nc1cnc(CC)c(F)c1
InChIInChI=1S/C20H26FN3O3/c1-5-16-15(21)12-14(13-22-16)23-20(25)19-17(26-6-2)8-7-9-18(19)27-11-10-24(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,25)
InChIKeyGFJCDNVQNJRIRU-UHFFFAOYSA-N
XLogP3.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 164971040
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-phenylbenzamide;methane
CID 157397638
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 154678647
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 161172788
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
CID 164745360
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide (CID 176689227) is 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide is CCOc1cccc(OCCN(C)C)c1C(=O)Nc1cnc(CC)c(F)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide?
The InChIKey is GFJCDNVQNJRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-5-16-15(21)12-14(13-22-16)23-20(25)19-17(26-6-2)8-7-9-18(19)27-11-10-24(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,25).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide?
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide has a molecular weight of 375.44 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 176689227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).