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

C25H22F4N4O4 — CID 86293968

IUPAC6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H22F4N4O4/c26-19-4-2-1-3-18(19)20-7-5-16(14-30-20)24(35)31-17-6-8-22(37-25(27,28)29)21(13-17)32-23(34)15-33-9-11-36-12-10-33/h1-8,13-14H,9-12,15H2,(H,31,35)(H,32,34)
InChIKeyLMEAJULYWCIHIQ-UHFFFAOYSA-N
MW518.47 g/mol
LogP4.31
Rot. Bonds7

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

6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 86293968) has the molecular formula C25H22F4N4O4 and a molecular weight of 518.47 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID86293968
Molecular FormulaC25H22F4N4O4
Molecular Weight518.47 g/mol
Exact Mass518.16
IUPAC Name6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H22F4N4O4/c26-19-4-2-1-3-18(19)20-7-5-16(14-30-20)24(35)31-17-6-8-22(37-25(27,28)29)21(13-17)32-23(34)15-33-9-11-36-12-10-33/h1-8,13-14H,9-12,15H2,(H,31,35)(H,32,34)
InChIKeyLMEAJULYWCIHIQ-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-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 86293968) is 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F.
What is the InChIKey of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is LMEAJULYWCIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O4/c26-19-4-2-1-3-18(19)20-7-5-16(14-30-20)24(35)31-17-6-8-22(37-25(27,28)29)21(13-17)32-23(34)15-33-9-11-36-12-10-33/h1-8,13-14H,9-12,15H2,(H,31,35)(H,32,34).
What are the key properties of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(2-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-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86293968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).