6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide

C26H22F2N6O4 — CID 123425195

IUPAC6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)NCc2cc(Oc3cncc(F)c3)cc(C(=O)NC)n2)n1
InChIInChI=1S/C26H22F2N6O4/c1-3-17-6-19(37-21-4-15(27)10-30-13-21)9-24(33-17)26(36)32-12-18-7-20(8-23(34-18)25(35)29-2)38-22-5-16(28)11-31-14-22/h4-11,13-14H,3,12H2,1-2H3,(H,29,35)(H,32,36)
InChIKeyUDADJXZSLPRXMW-UHFFFAOYSA-N
MW520.50 g/mol
LogP3.98
Rot. Bonds9

About 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide

6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 123425195) has the molecular formula C26H22F2N6O4 and a molecular weight of 520.50 g/mol. Its IUPAC name is 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID123425195
Molecular FormulaC26H22F2N6O4
Molecular Weight520.50 g/mol
Exact Mass520.17
IUPAC Name6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)NCc2cc(Oc3cncc(F)c3)cc(C(=O)NC)n2)n1
InChIInChI=1S/C26H22F2N6O4/c1-3-17-6-19(37-21-4-15(27)10-30-13-21)9-24(33-17)26(36)32-12-18-7-20(8-23(34-18)25(35)29-2)38-22-5-16(28)11-31-14-22/h4-11,13-14H,3,12H2,1-2H3,(H,29,35)(H,32,36)
InChIKeyUDADJXZSLPRXMW-UHFFFAOYSA-N
XLogP3.98
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide (CID 123425195) is 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide is CCc1cc(Oc2cncc(F)c2)cc(C(=O)NCc2cc(Oc3cncc(F)c3)cc(C(=O)NC)n2)n1.
What is the InChIKey of 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is UDADJXZSLPRXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O4/c1-3-17-6-19(37-21-4-15(27)10-30-13-21)9-24(33-17)26(36)32-12-18-7-20(8-23(34-18)25(35)29-2)38-22-5-16(28)11-31-14-22/h4-11,13-14H,3,12H2,1-2H3,(H,29,35)(H,32,36).
What are the key properties of 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide?
6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 520.50 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 123425195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).