2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide

C20H18FN3O3 — CID 55800925

IUPAC2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H18FN3O3/c1-2-26-20-17(4-3-11-22-20)19(25)24-13-14-5-10-18(23-12-14)27-16-8-6-15(21)7-9-16/h3-12H,2,13H2,1H3,(H,24,25)
InChIKeyWYBIXSQCUHJAPN-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.74
Rot. Bonds7

About 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide

2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 55800925) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID55800925
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H18FN3O3/c1-2-26-20-17(4-3-11-22-20)19(25)24-13-14-5-10-18(23-12-14)27-16-8-6-15(21)7-9-16/h3-12H,2,13H2,1H3,(H,24,25)
InChIKeyWYBIXSQCUHJAPN-UHFFFAOYSA-N
XLogP3.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55858888
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
CID 91651889
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 55800925) is 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is WYBIXSQCUHJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-26-20-17(4-3-11-22-20)19(25)24-13-14-5-10-18(23-12-14)27-16-8-6-15(21)7-9-16/h3-12H,2,13H2,1H3,(H,24,25).
What are the key properties of 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide?
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55800925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).