N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C24H24FN3O3 — CID 75214852

IUPACN-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCCc1cc2ccn(CCO)c2cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c1-2-15-11-17-7-8-28(9-10-29)22(17)13-21(15)27-24(31)20-14-26-23(30)12-19(20)16-3-5-18(25)6-4-16/h3-8,11,13-14,19,29H,2,9-10,12H2,1H3,(H,26,30)(H,27,31)
InChIKeyFEDAGCFPMHZFOJ-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.46
Rot. Bonds6

About N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 75214852) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID75214852
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCCc1cc2ccn(CCO)c2cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c1-2-15-11-17-7-8-28(9-10-29)22(17)13-21(15)27-24(31)20-14-26-23(30)12-19(20)16-3-5-18(25)6-4-16/h3-8,11,13-14,19,29H,2,9-10,12H2,1H3,(H,26,30)(H,27,31)
InChIKeyFEDAGCFPMHZFOJ-UHFFFAOYSA-N
XLogP3.46
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 75214852) is N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is CCc1cc2ccn(CCO)c2cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1.
What is the InChIKey of N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is FEDAGCFPMHZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-2-15-11-17-7-8-28(9-10-29)22(17)13-21(15)27-24(31)20-14-26-23(30)12-19(20)16-3-5-18(25)6-4-16/h3-8,11,13-14,19,29H,2,9-10,12H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 75214852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).