2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C16H14FN3O2 — CID 168786739

IUPAC2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1cccnc1F
InChIInChI=1S/C16H14FN3O2/c17-15-12(2-1-6-18-15)16(22)19-7-5-10-9-20-14-4-3-11(21)8-13(10)14/h1-4,6,8-9,20-21H,5,7H2,(H,19,22)
InChIKeyLCEUVVOCMNJNME-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.38
Rot. Bonds4

About 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 168786739) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID168786739
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1cccnc1F
InChIInChI=1S/C16H14FN3O2/c17-15-12(2-1-6-18-15)16(22)19-7-5-10-9-20-14-4-3-11(21)8-13(10)14/h1-4,6,8-9,20-21H,5,7H2,(H,19,22)
InChIKeyLCEUVVOCMNJNME-UHFFFAOYSA-N
XLogP2.38
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 118723540
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 118723541
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
CID 154724354
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
CID 18360710
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-3-ylbut-3-enyl]benzamide
CID 23544141
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798360
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 168786739) is 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccc(O)cc12)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is LCEUVVOCMNJNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-15-12(2-1-6-18-15)16(22)19-7-5-10-9-20-14-4-3-11(21)8-13(10)14/h1-4,6,8-9,20-21H,5,7H2,(H,19,22).
What are the key properties of 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 168786739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).