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

C16H18FN5O2 — CID 135126580

IUPAC2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C16H18FN5O2/c17-12-1-4-15(19-9-12)22-7-5-21(6-8-22)11-16(24)20-14-3-2-13(23)10-18-14/h1-4,9-10,23H,5-8,11H2,(H,18,20,24)
InChIKeyNTLGXUHKSSMGQQ-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.08
Rot. Bonds4

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

2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide (PubChem CID 135126580) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
PubChem CID135126580
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C16H18FN5O2/c17-12-1-4-15(19-9-12)22-7-5-21(6-8-22)11-16(24)20-14-3-2-13(23)10-18-14/h1-4,9-10,23H,5-8,11H2,(H,18,20,24)
InChIKeyNTLGXUHKSSMGQQ-UHFFFAOYSA-N
XLogP1.08
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide (CID 135126580) is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide is O=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1ccc(O)cn1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
The InChIKey is NTLGXUHKSSMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-12-1-4-15(19-9-12)22-7-5-21(6-8-22)11-16(24)20-14-3-2-13(23)10-18-14/h1-4,9-10,23H,5-8,11H2,(H,18,20,24).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide has a molecular weight of 331.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 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-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 135126580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).