2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide

C26H28FN3O2 — CID 66799586

IUPAC2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H28FN3O2/c1-19-17-21(26(31)28-13-16-30-14-3-2-4-15-30)18-25(29-19)20-5-9-23(10-6-20)32-24-11-7-22(27)8-12-24/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,31)
InChIKeyIRDUMIBTJSHCJG-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.20
Rot. Bonds7

About 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide

2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide (PubChem CID 66799586) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
PubChem CID66799586
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H28FN3O2/c1-19-17-21(26(31)28-13-16-30-14-3-2-4-15-30)18-25(29-19)20-5-9-23(10-6-20)32-24-11-7-22(27)8-12-24/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,31)
InChIKeyIRDUMIBTJSHCJG-UHFFFAOYSA-N
XLogP5.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide (CID 66799586) is 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide is Cc1cc(C(=O)NCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is IRDUMIBTJSHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-19-17-21(26(31)28-13-16-30-14-3-2-4-15-30)18-25(29-19)20-5-9-23(10-6-20)32-24-11-7-22(27)8-12-24/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,31).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide?
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66799586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).