N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide

C23H25FN4OS — CID 53119705

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccnc(-c2cccs2)c1
InChIInChI=1S/C23H25FN4OS/c24-19-5-1-2-6-21(19)28-14-12-27(13-15-28)11-4-9-26-23(29)18-8-10-25-20(17-18)22-7-3-16-30-22/h1-3,5-8,10,16-17H,4,9,11-15H2,(H,26,29)
InChIKeyHPAPCADQQSBYQM-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.89
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide (PubChem CID 53119705) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
PubChem CID53119705
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccnc(-c2cccs2)c1
InChIInChI=1S/C23H25FN4OS/c24-19-5-1-2-6-21(19)28-14-12-27(13-15-28)11-4-9-26-23(29)18-8-10-25-20(17-18)22-7-3-16-30-22/h1-3,5-8,10,16-17H,4,9,11-15H2,(H,26,29)
InChIKeyHPAPCADQQSBYQM-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53036766
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42224330
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-7-carboxamide
CID 53102384
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798110
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
CID 126479012
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422656

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide (CID 53119705) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccnc(-c2cccs2)c1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide?
The InChIKey is HPAPCADQQSBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c24-19-5-1-2-6-21(19)28-14-12-27(13-15-28)11-4-9-26-23(29)18-8-10-25-20(17-18)22-7-3-16-30-22/h1-3,5-8,10,16-17H,4,9,11-15H2,(H,26,29).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 53119705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).