3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide

C20H18FN3O3 — CID 109104852

IUPAC3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H18FN3O3/c21-18-6-2-1-4-14(18)7-8-23-19(25)15-10-16(12-22-11-15)20(26)24-13-17-5-3-9-27-17/h1-6,9-12H,7-8,13H2,(H,23,25)(H,24,26)
InChIKeyGEBPOXZOKBTSTQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.72
Rot. Bonds7

About 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109104852) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109104852
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H18FN3O3/c21-18-6-2-1-4-14(18)7-8-23-19(25)15-10-16(12-22-11-15)20(26)24-13-17-5-3-9-27-17/h1-6,9-12H,7-8,13H2,(H,23,25)(H,24,26)
InChIKeyGEBPOXZOKBTSTQ-UHFFFAOYSA-N
XLogP2.72
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
5-N-cyclopentyl-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102679

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109104852) is 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCCc1ccccc1F)c1cncc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is GEBPOXZOKBTSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-18-6-2-1-4-14(18)7-8-23-19(25)15-10-16(12-22-11-15)20(26)24-13-17-5-3-9-27-17/h1-6,9-12H,7-8,13H2,(H,23,25)(H,24,26).
What are the key properties of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).