N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide

C21H21FN2O3 — CID 172673341

IUPACN-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc2cc(-c3cc(OC)ncc3F)ccc2c1
InChIInChI=1S/C21H21FN2O3/c1-4-24(2)21(25)13-27-17-8-7-14-9-16(6-5-15(14)10-17)18-11-20(26-3)23-12-19(18)22/h5-12H,4,13H2,1-3H3
InChIKeyPTOGFHMMMMZDJS-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.91
Rot. Bonds6

About N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide

N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide (PubChem CID 172673341) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
PubChem CID172673341
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc2cc(-c3cc(OC)ncc3F)ccc2c1
InChIInChI=1S/C21H21FN2O3/c1-4-24(2)21(25)13-27-17-8-7-14-9-16(6-5-15(14)10-17)18-11-20(26-3)23-12-19(18)22/h5-12H,4,13H2,1-3H3
InChIKeyPTOGFHMMMMZDJS-UHFFFAOYSA-N
XLogP3.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide
CID 118864044
methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
CID 155342094
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
CID 102702283
N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389
N-methyl-2-naphthalen-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 26555249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
The IUPAC name of N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide (CID 172673341) is N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide is CCN(C)C(=O)COc1ccc2cc(-c3cc(OC)ncc3F)ccc2c1.
What is the InChIKey of N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
The InChIKey is PTOGFHMMMMZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-4-24(2)21(25)13-27-17-8-7-14-9-16(6-5-15(14)10-17)18-11-20(26-3)23-12-19(18)22/h5-12H,4,13H2,1-3H3.
What are the key properties of N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide has a molecular weight of 368.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide is sourced from PubChem (CID 172673341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).