2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide

C26H23FN4O2 — CID 67101563

IUPAC2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccccc2)nc1NCC(O)c1cccc(F)c1
InChIInChI=1S/C26H23FN4O2/c27-20-10-4-8-18(14-20)23(32)16-30-26-21(24(25(28)33)19-9-5-13-29-15-19)11-12-22(31-26)17-6-2-1-3-7-17/h1-15,23-24,32H,16H2,(H2,28,33)(H,30,31)
InChIKeyFCEWCIGPFUVJGL-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.05
Rot. Bonds8

About 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101563) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101563
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccccc2)nc1NCC(O)c1cccc(F)c1
InChIInChI=1S/C26H23FN4O2/c27-20-10-4-8-18(14-20)23(32)16-30-26-21(24(25(28)33)19-9-5-13-29-15-19)11-12-22(31-26)17-6-2-1-3-7-17/h1-15,23-24,32H,16H2,(H2,28,33)(H,30,31)
InChIKeyFCEWCIGPFUVJGL-UHFFFAOYSA-N
XLogP4.05
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101563) is 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2ccccc2)nc1NCC(O)c1cccc(F)c1.
What is the InChIKey of 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is FCEWCIGPFUVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-20-10-4-8-18(14-20)23(32)16-30-26-21(24(25(28)33)19-9-5-13-29-15-19)11-12-22(31-26)17-6-2-1-3-7-17/h1-15,23-24,32H,16H2,(H2,28,33)(H,30,31).
What are the key properties of 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 442.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).