5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C21H26FN3O3 — CID 42422654

IUPAC5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H26FN3O3/c1-4-23-20(27)17-12-25(11-14(2)3)13-18(19(17)26)21(28)24-10-9-15-5-7-16(22)8-6-15/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyCZDIXTVVLSRVQG-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.37
Rot. Bonds8

About 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42422654) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42422654
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H26FN3O3/c1-4-23-20(27)17-12-25(11-14(2)3)13-18(19(17)26)21(28)24-10-9-15-5-7-16(22)8-6-15/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyCZDIXTVVLSRVQG-UHFFFAOYSA-N
XLogP2.37
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323
5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 26350779
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
CID 26341265
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
1-butan-2-yl-5-N-ethyl-3-N-[(5-fluoro-2-methylphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 45177115
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 42422654) is 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2ccc(F)cc2)c1=O.
What is the InChIKey of 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is CZDIXTVVLSRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-4-23-20(27)17-12-25(11-14(2)3)13-18(19(17)26)21(28)24-10-9-15-5-7-16(22)8-6-15/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42422654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).