N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide

C17H18FN3O — CID 110085480

IUPACN-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(C2CCCNC2)nc1
InChIInChI=1S/C17H18FN3O/c18-14-4-6-15(7-5-14)21-17(22)13-3-8-16(20-11-13)12-2-1-9-19-10-12/h3-8,11-12,19H,1-2,9-10H2,(H,21,22)
InChIKeyRFQULUZXLVUJBZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.94
Rot. Bonds3

About N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide

N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide (PubChem CID 110085480) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
PubChem CID110085480
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(C2CCCNC2)nc1
InChIInChI=1S/C17H18FN3O/c18-14-4-6-15(7-5-14)21-17(22)13-3-8-16(20-11-13)12-2-1-9-19-10-12/h3-8,11-12,19H,1-2,9-10H2,(H,21,22)
InChIKeyRFQULUZXLVUJBZ-UHFFFAOYSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide (CID 110085480) is N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(C2CCCNC2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide?
The InChIKey is RFQULUZXLVUJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-4-6-15(7-5-14)21-17(22)13-3-8-16(20-11-13)12-2-1-9-19-10-12/h3-8,11-12,19H,1-2,9-10H2,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide?
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 110085480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).