6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide

C24H19FN4O — CID 67012538

IUPAC6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CC(c2ccc(F)cc2)(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C24H19FN4O/c25-20-10-8-17(9-11-20)24(18-4-2-12-27-15-18,19-5-3-13-28-16-19)14-21-6-1-7-22(29-21)23(26)30/h1-13,15-16H,14H2,(H2,26,30)
InChIKeyAQVBITWCCGTPSW-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.69
Rot. Bonds6

About 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide

6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide (PubChem CID 67012538) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide
PubChem CID67012538
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CC(c2ccc(F)cc2)(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C24H19FN4O/c25-20-10-8-17(9-11-20)24(18-4-2-12-27-15-18,19-5-3-13-28-16-19)14-21-6-1-7-22(29-21)23(26)30/h1-13,15-16H,14H2,(H2,26,30)
InChIKeyAQVBITWCCGTPSW-UHFFFAOYSA-N
XLogP3.69
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide (CID 67012538) is 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide is NC(=O)c1cccc(CC(c2ccc(F)cc2)(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide?
The InChIKey is AQVBITWCCGTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c25-20-10-8-17(9-11-20)24(18-4-2-12-27-15-18,19-5-3-13-28-16-19)14-21-6-1-7-22(29-21)23(26)30/h1-13,15-16H,14H2,(H2,26,30).
What are the key properties of 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide?
6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 67012538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).