2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C16H13FN2O2S — CID 60565432

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccnc(F)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C16H13FN2O2S/c17-15-9-12(5-6-18-15)16(20)19(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h1-9H,10-11H2
InChIKeyLMRBIUJNAMNPDL-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.72
Rot. Bonds5

About 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 60565432) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID60565432
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccnc(F)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C16H13FN2O2S/c17-15-9-12(5-6-18-15)16(20)19(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h1-9H,10-11H2
InChIKeyLMRBIUJNAMNPDL-UHFFFAOYSA-N
XLogP3.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 60565432) is 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is O=C(c1ccnc(F)c1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is LMRBIUJNAMNPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-15-9-12(5-6-18-15)16(20)19(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h1-9H,10-11H2.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 60565432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).