6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C23H20FN3O — CID 155519261

IUPAC6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C23H20FN3O/c1-15-17(18-6-3-5-9-22(18)27-15)12-13-25-23(28)16-10-11-21(26-14-16)19-7-2-4-8-20(19)24/h2-11,14,27H,12-13H2,1H3,(H,25,28)
InChIKeyATWMZQCTHWIOHO-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.65
Rot. Bonds5

About 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 155519261) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID155519261
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C23H20FN3O/c1-15-17(18-6-3-5-9-22(18)27-15)12-13-25-23(28)16-10-11-21(26-14-16)19-7-2-4-8-20(19)24/h2-11,14,27H,12-13H2,1H3,(H,25,28)
InChIKeyATWMZQCTHWIOHO-UHFFFAOYSA-N
XLogP4.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Indoramin
CID 33625
Rutaecarpine
CID 65752
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Pruvanserin
CID 6433122
Indole-3-acetamide
CID 397
Indole-5-carboxamide
CID 14973220
LY-517717
CID 9939865
Bisindolylmaleimide VIII
CID 2403
FG-7142
CID 4375
CP-409092
CID 9839190
Indoramin hydrochloride
CID 38102

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 155519261) is 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ATWMZQCTHWIOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-15-17(18-6-3-5-9-22(18)27-15)12-13-25-23(28)16-10-11-21(26-14-16)19-7-2-4-8-20(19)24/h2-11,14,27H,12-13H2,1H3,(H,25,28).
What are the key properties of 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155519261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).