2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide

C17H20FN5O2 — CID 135137838

IUPAC2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cn3)CC2)nc1
InChIInChI=1S/C17H20FN5O2/c1-25-14-3-4-15(19-11-14)21-17(24)12-22-6-8-23(9-7-22)16-5-2-13(18)10-20-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,21,24)
InChIKeyUXAGRFJCHMRAJT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.38
Rot. Bonds5

About 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide

2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide (PubChem CID 135137838) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide
PubChem CID135137838
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cn3)CC2)nc1
InChIInChI=1S/C17H20FN5O2/c1-25-14-3-4-15(19-11-14)21-17(24)12-22-6-8-23(9-7-22)16-5-2-13(18)10-20-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,21,24)
InChIKeyUXAGRFJCHMRAJT-UHFFFAOYSA-N
XLogP1.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide (CID 135137838) is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide is COc1ccc(NC(=O)CN2CCN(c3ccc(F)cn3)CC2)nc1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide?
The InChIKey is UXAGRFJCHMRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-14-3-4-15(19-11-14)21-17(24)12-22-6-8-23(9-7-22)16-5-2-13(18)10-20-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,21,24).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide?
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-methoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 135137838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).