4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide

C21H20F2N4O2 — CID 122539657

IUPAC4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide
SMILESCN(CCOCc1cncc(F)c1)c1cnc(C(N)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O2/c1-27(6-7-29-13-14-8-17(23)11-25-10-14)20-12-26-19(21(24)28)9-18(20)15-2-4-16(22)5-3-15/h2-5,8-12H,6-7,13H2,1H3,(H2,24,28)
InChIKeyCGCJMBLGOTUATH-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.17
Rot. Bonds8

About 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide (PubChem CID 122539657) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide
PubChem CID122539657
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide
SMILESCN(CCOCc1cncc(F)c1)c1cnc(C(N)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O2/c1-27(6-7-29-13-14-8-17(23)11-25-10-14)20-12-26-19(21(24)28)9-18(20)15-2-4-16(22)5-3-15/h2-5,8-12H,6-7,13H2,1H3,(H2,24,28)
InChIKeyCGCJMBLGOTUATH-UHFFFAOYSA-N
XLogP3.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide (CID 122539657) is 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide is CN(CCOCc1cncc(F)c1)c1cnc(C(N)=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide?
The InChIKey is CGCJMBLGOTUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-27(6-7-29-13-14-8-17(23)11-25-10-14)20-12-26-19(21(24)28)9-18(20)15-2-4-16(22)5-3-15/h2-5,8-12H,6-7,13H2,1H3,(H2,24,28).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[(5-fluoro-3-pyridinyl)methoxy]ethyl-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 122539657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).