1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide

C19H19FN4O2 — CID 156681108

IUPAC1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(-c3cc4cc(O)ccc4[nH]3)c([18F])n2)CC1
InChIInChI=1S/C19H19FN4O2/c20-18-14(16-10-12-9-13(25)1-3-15(12)22-16)2-4-17(23-18)24-7-5-11(6-8-24)19(21)26/h1-4,9-11,22,25H,5-8H2,(H2,21,26)/i20-1
InChIKeyCDOYPWNJMPOPHM-LRFGSCOBSA-N
MW353.39 g/mol
LogP2.78
Rot. Bonds3

About 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide

1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 156681108) has the molecular formula C19H19FN4O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID156681108
Molecular FormulaC19H19FN4O2
Molecular Weight353.39 g/mol
Exact Mass353.15
IUPAC Name1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(-c3cc4cc(O)ccc4[nH]3)c([18F])n2)CC1
InChIInChI=1S/C19H19FN4O2/c20-18-14(16-10-12-9-13(25)1-3-15(12)22-16)2-4-17(23-18)24-7-5-11(6-8-24)19(21)26/h1-4,9-11,22,25H,5-8H2,(H2,21,26)/i20-1
InChIKeyCDOYPWNJMPOPHM-LRFGSCOBSA-N
XLogP2.78
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 156681108) is 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(-c3cc4cc(O)ccc4[nH]3)c([18F])n2)CC1.
What is the InChIKey of 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is CDOYPWNJMPOPHM-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-18-14(16-10-12-9-13(25)1-3-15(12)22-16)2-4-17(23-18)24-7-5-11(6-8-24)19(21)26/h1-4,9-11,22,25H,5-8H2,(H2,21,26)/i20-1.
What are the key properties of 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 156681108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).