2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide

C17H18FN3O3 — CID 2468311

IUPAC2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-3-24-16-14(5-4-10-19-16)17(23)21(2)11-15(22)20-13-8-6-12(18)7-9-13/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyOOSHRSLMWMSUNZ-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.33
Rot. Bonds6

About 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide

2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide (PubChem CID 2468311) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
PubChem CID2468311
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-3-24-16-14(5-4-10-19-16)17(23)21(2)11-15(22)20-13-8-6-12(18)7-9-13/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyOOSHRSLMWMSUNZ-UHFFFAOYSA-N
XLogP2.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 18112706
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752364
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 18112696
N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 46473407
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
CID 7930200
N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 55579968
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2532974
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide (CID 2468311) is 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is OOSHRSLMWMSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-3-24-16-14(5-4-10-19-16)17(23)21(2)11-15(22)20-13-8-6-12(18)7-9-13/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 2468311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).