4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide

C24H31FN2O2 — CID 54442390

IUPAC4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1c(C(C)C)nc(C(C)C)c(CCC=O)c1-c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c1-6-13-26-24(29)21-20(17-9-11-18(25)12-10-17)19(8-7-14-28)22(15(2)3)27-23(21)16(4)5/h9-12,14-16H,6-8,13H2,1-5H3,(H,26,29)
InChIKeyWPAVVPUNMPKJIW-UHFFFAOYSA-N
MW398.52 g/mol
LogP5.41
Rot. Bonds9

About 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide

4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide (PubChem CID 54442390) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide
PubChem CID54442390
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1c(C(C)C)nc(C(C)C)c(CCC=O)c1-c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c1-6-13-26-24(29)21-20(17-9-11-18(25)12-10-17)19(8-7-14-28)22(15(2)3)27-23(21)16(4)5/h9-12,14-16H,6-8,13H2,1-5H3,(H,26,29)
InChIKeyWPAVVPUNMPKJIW-UHFFFAOYSA-N
XLogP5.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-Fluoro-benzoylamino)-ethyl]-6-methyl-nicotinamide
CID 6498619
6-Methyl-N-[3-(3-methyl-benzoylamino)-propyl]-nicotinamide
CID 6498646
6-Methyl-N-[3-(4-methyl-benzoylamino)-propyl]-nicotinamide
CID 6498647
6-Methyl-N-(3-phenylacetylamino-propyl)-nicotinamide
CID 6498664
6-(5-cyclopropylcarbamoyl-3-fluoro-2-methyl-phenyl)-N-(2-methylpropyl)-nicotinamide
CID 21914620
6-(5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl}-N-[(1R)-1,2-dimethylpropyl]-3-pyridinecarboxamide
CID 44480441
6-{5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl}-N-[(1S)-1,2-dimethylpropyl]-3-pyridinecarboxamide
CID 44480442
5-(aminomethyl)-N-cyclopropyl-4-(4-fluorophenyl)-6-methylpicolinamide
CID 51356957
5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpicolinamide
CID 51356962
5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105630
N-(2-fluorobenzyl)-3-[1-(6-methylnicotinoyl)-3-piperidyl]propionamide
CID 24794247
2-((3-fluorophenyl)ethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 53326433

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide (CID 54442390) is 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1c(C(C)C)nc(C(C)C)c(CCC=O)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide?
The InChIKey is WPAVVPUNMPKJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-6-13-26-24(29)21-20(17-9-11-18(25)12-10-17)19(8-7-14-28)22(15(2)3)27-23(21)16(4)5/h9-12,14-16H,6-8,13H2,1-5H3,(H,26,29).
What are the key properties of 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide?
4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(3-oxopropyl)-2,6-di(propan-2-yl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 54442390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).