N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide

C23H23FN4O — CID 109155580

IUPACN-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H23FN4O/c24-20-7-9-21(10-8-20)27-12-14-28(15-13-27)22-11-6-19(17-25-22)23(29)26-16-18-4-2-1-3-5-18/h1-11,17H,12-16H2,(H,26,29)
InChIKeyKOSNONBWBNLPIX-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide

N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109155580) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109155580
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H23FN4O/c24-20-7-9-21(10-8-20)27-12-14-28(15-13-27)22-11-6-19(17-25-22)23(29)26-16-18-4-2-1-3-5-18/h1-11,17H,12-16H2,(H,26,29)
InChIKeyKOSNONBWBNLPIX-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

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
N-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255242
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109156755

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109155580) is N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is KOSNONBWBNLPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-7-9-21(10-8-20)27-12-14-28(15-13-27)22-11-6-19(17-25-22)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-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-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-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109155580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).