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

C21H21FN4O2 — CID 109187509

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H21FN4O2/c22-16-3-5-17(6-4-16)25-9-11-26(12-10-25)18-7-8-20(23-14-18)21(27)24-15-19-2-1-13-28-19/h1-8,13-14H,9-12,15H2,(H,24,27)
InChIKeyLHTNXAARYBCCLU-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.07
Rot. Bonds5

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

5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109187509) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109187509
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H21FN4O2/c22-16-3-5-17(6-4-16)25-9-11-26(12-10-25)18-7-8-20(23-14-18)21(27)24-15-19-2-1-13-28-19/h1-8,13-14H,9-12,15H2,(H,24,27)
InChIKeyLHTNXAARYBCCLU-UHFFFAOYSA-N
XLogP3.07
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 109187612
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122984
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
4-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide
CID 111165687
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109182359
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109187509) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is LHTNXAARYBCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-3-5-17(6-4-16)25-9-11-26(12-10-25)18-7-8-20(23-14-18)21(27)24-15-19-2-1-13-28-19/h1-8,13-14H,9-12,15H2,(H,24,27).
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).