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

C25H25FN4O4 — CID 86293970

IUPAC6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C25H25FN4O4/c1-33-23-8-6-20(14-22(23)29-24(31)16-30-9-11-34-12-10-30)28-25(32)18-5-7-21(27-15-18)17-3-2-4-19(26)13-17/h2-8,13-15H,9-12,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyASXQKWUUHVJUIZ-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.42
Rot. Bonds7

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

6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 86293970) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID86293970
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C25H25FN4O4/c1-33-23-8-6-20(14-22(23)29-24(31)16-30-9-11-34-12-10-30)28-25(32)18-5-7-21(27-15-18)17-3-2-4-19(26)13-17/h2-8,13-15H,9-12,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyASXQKWUUHVJUIZ-UHFFFAOYSA-N
XLogP3.42
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.42
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-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide (CID 86293970) is 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is ASXQKWUUHVJUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-33-23-8-6-20(14-22(23)29-24(31)16-30-9-11-34-12-10-30)28-25(32)18-5-7-21(27-15-18)17-3-2-4-19(26)13-17/h2-8,13-15H,9-12,16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.42, 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-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86293970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).