4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide

C23H23FN4O2 — CID 122539753

IUPAC4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(OC2CCN(c3cnc(C(N)=O)cc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C23H23FN4O2/c1-15-2-7-19(13-26-15)30-18-8-10-28(11-9-18)22-14-27-21(23(25)29)12-20(22)16-3-5-17(24)6-4-16/h2-7,12-14,18H,8-11H2,1H3,(H2,25,29)
InChIKeyQFMAMVQATRPPQS-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.74
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 122539753) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID122539753
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(OC2CCN(c3cnc(C(N)=O)cc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C23H23FN4O2/c1-15-2-7-19(13-26-15)30-18-8-10-28(11-9-18)22-14-27-21(23(25)29)12-20(22)16-3-5-17(24)6-4-16/h2-7,12-14,18H,8-11H2,1H3,(H2,25,29)
InChIKeyQFMAMVQATRPPQS-UHFFFAOYSA-N
XLogP3.74
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide (CID 122539753) is 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide is Cc1ccc(OC2CCN(c3cnc(C(N)=O)cc3-c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is QFMAMVQATRPPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-2-7-19(13-26-15)30-18-8-10-28(11-9-18)22-14-27-21(23(25)29)12-20(22)16-3-5-17(24)6-4-16/h2-7,12-14,18H,8-11H2,1H3,(H2,25,29).
What are the key properties of 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122539753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).