1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide

C15H19FN6O — CID 165112721

IUPAC1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide
SMILESN#CN1CCCC(F)(C(=O)Nc2ccc(C3CCNN3)cn2)C1
InChIInChI=1S/C15H19FN6O/c16-15(5-1-7-22(9-15)10-17)14(23)20-13-3-2-11(8-18-13)12-4-6-19-21-12/h2-3,8,12,19,21H,1,4-7,9H2,(H,18,20,23)
InChIKeyILCKESKMUNBXFF-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.84
Rot. Bonds3

About 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide

1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 165112721) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID165112721
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide
SMILESN#CN1CCCC(F)(C(=O)Nc2ccc(C3CCNN3)cn2)C1
InChIInChI=1S/C15H19FN6O/c16-15(5-1-7-22(9-15)10-17)14(23)20-13-3-2-11(8-18-13)12-4-6-19-21-12/h2-3,8,12,19,21H,1,4-7,9H2,(H,18,20,23)
InChIKeyILCKESKMUNBXFF-UHFFFAOYSA-N
XLogP0.84
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide (CID 165112721) is 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide is N#CN1CCCC(F)(C(=O)Nc2ccc(C3CCNN3)cn2)C1.
What is the InChIKey of 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is ILCKESKMUNBXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-15(5-1-7-22(9-15)10-17)14(23)20-13-3-2-11(8-18-13)12-4-6-19-21-12/h2-3,8,12,19,21H,1,4-7,9H2,(H,18,20,23).
What are the key properties of 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide?
1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-fluoro-N-(5-pyrazolidin-3-yl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 165112721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).