2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide

C20H25FN4O — CID 109165674

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H25FN4O/c1-15(2)14-23-20(26)16-7-8-22-19(13-16)25-11-9-24(10-12-25)18-6-4-3-5-17(18)21/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyGAEPTWXIJANYPY-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 109165674) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID109165674
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H25FN4O/c1-15(2)14-23-20(26)16-7-8-22-19(13-16)25-11-9-24(10-12-25)18-6-4-3-5-17(18)21/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyGAEPTWXIJANYPY-UHFFFAOYSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165662
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
3-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide
CID 42824905
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide (CID 109165674) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CNC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is GAEPTWXIJANYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-15(2)14-23-20(26)16-7-8-22-19(13-16)25-11-9-24(10-12-25)18-6-4-3-5-17(18)21/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).