2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

C22H20FN3O — CID 109172612

IUPAC2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(N2CCc3ccccc32)c1
InChIInChI=1S/C22H20FN3O/c23-19-7-5-16(6-8-19)9-12-25-22(27)18-10-13-24-21(15-18)26-14-11-17-3-1-2-4-20(17)26/h1-8,10,13,15H,9,11-12,14H2,(H,25,27)
InChIKeyNSZYHRBGEXCPIO-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.89
Rot. Bonds5

About 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172612) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172612
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(N2CCc3ccccc32)c1
InChIInChI=1S/C22H20FN3O/c23-19-7-5-16(6-8-19)9-12-25-22(27)18-10-13-24-21(15-18)26-14-11-17-3-1-2-4-20(17)26/h1-8,10,13,15H,9,11-12,14H2,(H,25,27)
InChIKeyNSZYHRBGEXCPIO-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284439
N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109172647
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
CID 109170889
2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176481
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171028
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119549443

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 109172612) is 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccnc(N2CCc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is NSZYHRBGEXCPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-7-5-16(6-8-19)9-12-25-22(27)18-10-13-24-21(15-18)26-14-11-17-3-1-2-4-20(17)26/h1-8,10,13,15H,9,11-12,14H2,(H,25,27).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).