6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide

C17H18FN3O2 — CID 110272008

IUPAC6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C2CN(Cc3ccc(F)cc3)CCO2)nc1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)10-21-7-8-23-16(11-21)15-6-3-13(9-20-15)17(19)22/h1-6,9,16H,7-8,10-11H2,(H2,19,22)
InChIKeyXOLXYRPFLUBTHC-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.89
Rot. Bonds4

About 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide

6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide (PubChem CID 110272008) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide
PubChem CID110272008
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C2CN(Cc3ccc(F)cc3)CCO2)nc1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)10-21-7-8-23-16(11-21)15-6-3-13(9-20-15)17(19)22/h1-6,9,16H,7-8,10-11H2,(H2,19,22)
InChIKeyXOLXYRPFLUBTHC-UHFFFAOYSA-N
XLogP1.89
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide (CID 110272008) is 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide is NC(=O)c1ccc(C2CN(Cc3ccc(F)cc3)CCO2)nc1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide?
The InChIKey is XOLXYRPFLUBTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)10-21-7-8-23-16(11-21)15-6-3-13(9-20-15)17(19)22/h1-6,9,16H,7-8,10-11H2,(H2,19,22).
What are the key properties of 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide?
6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110272008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).