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

C22H26FN3O3 — CID 42212323

IUPAC1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H26FN3O3/c1-24-21(28)18-13-26(17-5-3-2-4-6-17)14-19(20(18)27)22(29)25-12-11-15-7-9-16(23)10-8-15/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyUKTBGTJSSOWZFH-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.82
Rot. Bonds6

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

1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42212323) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID42212323
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H26FN3O3/c1-24-21(28)18-13-26(17-5-3-2-4-6-17)14-19(20(18)27)22(29)25-12-11-15-7-9-16(23)10-8-15/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyUKTBGTJSSOWZFH-UHFFFAOYSA-N
XLogP2.82
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42422654
1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
CID 26357797
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
1-cyclohexyl-5-N-methyl-4-oxo-3-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45191694
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 98277035
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9402857
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
CID 25292980
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 42212323) is 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is UKTBGTJSSOWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-24-21(28)18-13-26(17-5-3-2-4-6-17)14-19(20(18)27)22(29)25-12-11-15-7-9-16(23)10-8-15/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42212323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).