6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

C16H17FN4O — CID 173099455

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H17FN4O/c17-12-4-6-13(7-5-12)20-8-10-21(11-9-20)15-3-1-2-14(19-15)16(18)22/h1-7H,8-11H2,(H2,18,22)
InChIKeyZFVRJADERAUTCC-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.65
Rot. Bonds3

About 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 173099455) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID173099455
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H17FN4O/c17-12-4-6-13(7-5-12)20-8-10-21(11-9-20)15-3-1-2-14(19-15)16(18)22/h1-7H,8-11H2,(H2,18,22)
InChIKeyZFVRJADERAUTCC-UHFFFAOYSA-N
XLogP1.65
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 173099455) is 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZFVRJADERAUTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-4-6-13(7-5-12)20-8-10-21(11-9-20)15-3-1-2-14(19-15)16(18)22/h1-7H,8-11H2,(H2,18,22).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 173099455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).