ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

C20H29FN2O3 — CID 143010924

IUPACethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCC.CC.CCOC(=O)c1cc(F)cnc1NCc1ccc(OC)cc1
InChIInChI=1S/C16H17FN2O3.2C2H6/c1-3-22-16(20)14-8-12(17)10-19-15(14)18-9-11-4-6-13(21-2)7-5-11;2*1-2/h4-8,10H,3,9H2,1-2H3,(H,18,19);2*1-2H3
InChIKeyGYCYUSNZRVKNBG-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.07
Rot. Bonds6

About ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 143010924) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID143010924
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Nameethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCC.CC.CCOC(=O)c1cc(F)cnc1NCc1ccc(OC)cc1
InChIInChI=1S/C16H17FN2O3.2C2H6/c1-3-22-16(20)14-8-12(17)10-19-15(14)18-9-11-4-6-13(21-2)7-5-11;2*1-2/h4-8,10H,3,9H2,1-2H3,(H,18,19);2*1-2H3
InChIKeyGYCYUSNZRVKNBG-UHFFFAOYSA-N
XLogP5.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
ethyl 2-[(4-methoxyphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3919771
2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 178100025
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate
CID 141302909
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (CID 143010924) is ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is CC.CC.CCOC(=O)c1cc(F)cnc1NCc1ccc(OC)cc1.
What is the InChIKey of ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is GYCYUSNZRVKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3.2C2H6/c1-3-22-16(20)14-8-12(17)10-19-15(14)18-9-11-4-6-13(21-2)7-5-11;2*1-2/h4-8,10H,3,9H2,1-2H3,(H,18,19);2*1-2H3.
What are the key properties of ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 364.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 143010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).