N-(4-fluorophenyl)pyridine-3-carboxamide

C48H36F4N8O4 — CID 139197104

IUPACN-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/4C12H9FN2O/c4*13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h4*1-8H,(H,15,16)
InChIKeyYGTOBGFBCHOICK-UHFFFAOYSA-N
MW864.86 g/mol
LogP9.89
Rot. Bonds8

About N-(4-fluorophenyl)pyridine-3-carboxamide

N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 139197104) has the molecular formula C48H36F4N8O4 and a molecular weight of 864.86 g/mol. Its IUPAC name is N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID139197104
Molecular FormulaC48H36F4N8O4
Molecular Weight864.86 g/mol
Exact Mass864.28
IUPAC NameN-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/4C12H9FN2O/c4*13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h4*1-8H,(H,15,16)
InChIKeyYGTOBGFBCHOICK-UHFFFAOYSA-N
XLogP9.89
TPSA167.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.86
LogP ≤ 59.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)pyridine-3-carboxamide (CID 139197104) is N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.O=C(Nc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is YGTOBGFBCHOICK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H9FN2O/c4*13-10-3-5-11(6-4-10)15-12(16)9-2-1-7-14-8-9/h4*1-8H,(H,15,16).
What are the key properties of N-(4-fluorophenyl)pyridine-3-carboxamide?
N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 864.86 g/mol, XLogP of 9.89, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 139197104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).