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'}

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Related Compounds

2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol
CID 171545767
2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol
CID 176652140
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide
CID 174454085

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).