4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide

C22H21FN4O2 — CID 122539795

IUPAC4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C22H21FN4O2/c23-16-5-3-15(4-6-16)19-12-20(22(24)28)26-14-21(19)27-10-7-17(8-11-27)29-18-2-1-9-25-13-18/h1-6,9,12-14,17H,7-8,10-11H2,(H2,24,28)
InChIKeyHDRIDQPDNXFXIG-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.43
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide

4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 122539795) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide
PubChem CID122539795
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C22H21FN4O2/c23-16-5-3-15(4-6-16)19-12-20(22(24)28)26-14-21(19)27-10-7-17(8-11-27)29-18-2-1-9-25-13-18/h1-6,9,12-14,17H,7-8,10-11H2,(H2,24,28)
InChIKeyHDRIDQPDNXFXIG-UHFFFAOYSA-N
XLogP3.43
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.43
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-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide (CID 122539795) is 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(N2CCC(Oc3cccnc3)CC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is HDRIDQPDNXFXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-16-5-3-15(4-6-16)19-12-20(22(24)28)26-14-21(19)27-10-7-17(8-11-27)29-18-2-1-9-25-13-18/h1-6,9,12-14,17H,7-8,10-11H2,(H2,24,28).
What are the key properties of 4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-(4-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.43, 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-pyridin-3-yloxypiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122539795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).