N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide

C25H21FN4O — CID 11704288

IUPACN-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(C(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C25H21FN4O/c1-17(31)29-23-8-2-7-22(30-23)25(18-9-11-21(26)12-10-18)24(19-5-3-13-27-15-19)20-6-4-14-28-16-20/h2-16,24-25H,1H3,(H,29,30,31)
InChIKeyWDAGQUISNWBSGI-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.93
Rot. Bonds6

About N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide

N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide (PubChem CID 11704288) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide
PubChem CID11704288
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(C(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C25H21FN4O/c1-17(31)29-23-8-2-7-22(30-23)25(18-9-11-21(26)12-10-18)24(19-5-3-13-27-15-19)20-6-4-14-28-16-20/h2-16,24-25H,1H3,(H,29,30,31)
InChIKeyWDAGQUISNWBSGI-UHFFFAOYSA-N
XLogP4.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide (CID 11704288) is N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cccc(C(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide?
The InChIKey is WDAGQUISNWBSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-17(31)29-23-8-2-7-22(30-23)25(18-9-11-21(26)12-10-18)24(19-5-3-13-27-15-19)20-6-4-14-28-16-20/h2-16,24-25H,1H3,(H,29,30,31).
What are the key properties of N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide?
N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11704288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).