6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C25H22F4N4O4 — CID 86293784

IUPAC6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H22F4N4O4/c26-18-3-1-2-16(12-18)20-6-4-17(14-30-20)24(35)31-19-5-7-22(37-25(27,28)29)21(13-19)32-23(34)15-33-8-10-36-11-9-33/h1-7,12-14H,8-11,15H2,(H,31,35)(H,32,34)
InChIKeyFIXTUTUYLQVSOC-UHFFFAOYSA-N
MW518.47 g/mol
LogP4.31
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 86293784) has the molecular formula C25H22F4N4O4 and a molecular weight of 518.47 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID86293784
Molecular FormulaC25H22F4N4O4
Molecular Weight518.47 g/mol
Exact Mass518.16
IUPAC Name6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H22F4N4O4/c26-18-3-1-2-16(12-18)20-6-4-17(14-30-20)24(35)31-19-5-7-22(37-25(27,28)29)21(13-19)32-23(34)15-33-8-10-36-11-9-33/h1-7,12-14H,8-11,15H2,(H,31,35)(H,32,34)
InChIKeyFIXTUTUYLQVSOC-UHFFFAOYSA-N
XLogP4.31
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 86293784) is 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)ccc1OC(F)(F)F.
What is the InChIKey of 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is FIXTUTUYLQVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O4/c26-18-3-1-2-16(12-18)20-6-4-17(14-30-20)24(35)31-19-5-7-22(37-25(27,28)29)21(13-19)32-23(34)15-33-8-10-36-11-9-33/h1-7,12-14H,8-11,15H2,(H,31,35)(H,32,34).
What are the key properties of 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 518.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86293784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).