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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Related Compounds

N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
Pyridin-3-ylmethyl 2-[4-[(2-aminophenyl)carbamoyl]anilino]acetate
CID 44560970
N-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 72548436
N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 91937592
N-(6'-((dihydro-2H-pyran-4(3H)-ylidene)methyl)-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 117609662
N-[2-[3,6-difluoro-2-(5-methylpyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451085
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53251568
6-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-8-N-(1-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89733951
6-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-8-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89734127
US9840501, Example 55
CID 118484365
US9840501, Example 53
CID 118484370
(RS)-4-Fluoro-N-(6-morpholin-2-yl-3-pyridyl)benzamide
CID 118484428

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).