2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid

C18H15FN2O3 — CID 82220520

IUPAC2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid
SMILESCN(C)c1nc(-c2ccco2)cc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C18H15FN2O3/c1-21(2)17-16(18(22)23)13(11-5-7-12(19)8-6-11)10-14(20-17)15-4-3-9-24-15/h3-10H,1-2H3,(H,22,23)
InChIKeyJQHBKZMWRKBBOW-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.91
Rot. Bonds4

About 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid

2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid (PubChem CID 82220520) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid
PubChem CID82220520
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid
SMILESCN(C)c1nc(-c2ccco2)cc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C18H15FN2O3/c1-21(2)17-16(18(22)23)13(11-5-7-12(19)8-6-11)10-14(20-17)15-4-3-9-24-15/h3-10H,1-2H3,(H,22,23)
InChIKeyJQHBKZMWRKBBOW-UHFFFAOYSA-N
XLogP3.91
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445
2-Amino-6-(5-methyl-furan-2-yl)-4-phenyl-nicotinonitrile
CID 649080
1-Benzyl-7-(furan-2-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112373
7-(Furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112380
2-Amino-4-(4-methoxy-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950531
2-Amino-4-(3-trifluoromethoxy-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950689
2-Amino-4-(3-methyl-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950690
2-Amino-4-(4-hydroxy-phenyl)-6-furan-2-yl-nicotinonitrile
CID 135949027
US10781185, Example 98
CID 50991571
US9969726, Example 117
CID 118577211
US9969726, Example 88
CID 118577396

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid (CID 82220520) is 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid is CN(C)c1nc(-c2ccco2)cc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is JQHBKZMWRKBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-21(2)17-16(18(22)23)13(11-5-7-12(19)8-6-11)10-14(20-17)15-4-3-9-24-15/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid?
2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 326.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82220520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).