3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide

C21H21FN4O2 — CID 46053706

IUPAC3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccoc3)CC2)nc1)c1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c22-18-3-1-2-17(12-18)21(27)24-19-4-5-20(23-13-19)26-9-7-25(8-10-26)14-16-6-11-28-15-16/h1-6,11-13,15H,7-10,14H2,(H,24,27)
InChIKeyACVBUUCZTXOVDB-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds5

About 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide

3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46053706) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46053706
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccoc3)CC2)nc1)c1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c22-18-3-1-2-17(12-18)21(27)24-19-4-5-20(23-13-19)26-9-7-25(8-10-26)14-16-6-11-28-15-16/h1-6,11-13,15H,7-10,14H2,(H,24,27)
InChIKeyACVBUUCZTXOVDB-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46053706) is 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(Cc3ccoc3)CC2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is ACVBUUCZTXOVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-3-1-2-17(12-18)21(27)24-19-4-5-20(23-13-19)26-9-7-25(8-10-26)14-16-6-11-28-15-16/h1-6,11-13,15H,7-10,14H2,(H,24,27).
What are the key properties of 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46053706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).