4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C24H23FN4O3 — CID 56943519

IUPAC4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H23FN4O3/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31)
InChIKeyWALZPLZHTGERKR-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.48
Rot. Bonds6

About 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56943519) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56943519
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H23FN4O3/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31)
InChIKeyWALZPLZHTGERKR-UHFFFAOYSA-N
XLogP3.48
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56943519) is 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is WALZPLZHTGERKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).