5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide

C23H23FN4O — CID 109194366

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C23H23FN4O/c1-17-6-2-4-8-20(17)26-23(29)21-11-10-18(16-25-21)27-12-14-28(15-13-27)22-9-5-3-7-19(22)24/h2-11,16H,12-15H2,1H3,(H,26,29)
InChIKeyPUEBJQRLIDFGAO-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.11
Rot. Bonds4

About 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide

5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109194366) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
PubChem CID109194366
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C23H23FN4O/c1-17-6-2-4-8-20(17)26-23(29)21-11-10-18(16-25-21)27-12-14-28(15-13-27)22-9-5-3-7-19(22)24/h2-11,16H,12-15H2,1H3,(H,26,29)
InChIKeyPUEBJQRLIDFGAO-UHFFFAOYSA-N
XLogP4.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109194372
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide (CID 109194366) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is PUEBJQRLIDFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17-6-2-4-8-20(17)26-23(29)21-11-10-18(16-25-21)27-12-14-28(15-13-27)22-9-5-3-7-19(22)24/h2-11,16H,12-15H2,1H3,(H,26,29).
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide?
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).