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

C23H23FN4O — CID 109187850

IUPACN-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C23H23FN4O/c24-19-6-8-20(9-7-19)27-12-14-28(15-13-27)21-10-11-22(25-17-21)23(29)26-16-18-4-2-1-3-5-18/h1-11,17H,12-16H2,(H,26,29)
InChIKeyKUPMMTDURVYYLD-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.48
Rot. Bonds5

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

N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 109187850) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID109187850
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C23H23FN4O/c24-19-6-8-20(9-7-19)27-12-14-28(15-13-27)21-10-11-22(25-17-21)23(29)26-16-18-4-2-1-3-5-18/h1-11,17H,12-16H2,(H,26,29)
InChIKeyKUPMMTDURVYYLD-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255242
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 109187850) is N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is KUPMMTDURVYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-19-6-8-20(9-7-19)27-12-14-28(15-13-27)21-10-11-22(25-17-21)23(29)26-16-18-4-2-1-3-5-18/h1-11,17H,12-16H2,(H,26,29).
What are the key properties of N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 109187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).