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

C20H25FN4O — CID 109165662

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(N2CCN(c3ccc(F)cc3)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)18-5-3-17(21)4-6-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
InChIKeySODNUEKFJJCHHV-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.93
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 109165662) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID109165662
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(N2CCN(c3ccc(F)cc3)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)18-5-3-17(21)4-6-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
InChIKeySODNUEKFJJCHHV-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

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111061824
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide (CID 109165662) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CNC(=O)c1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is SODNUEKFJJCHHV-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)18-5-3-17(21)4-6-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide?
2-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).