2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide

C23H27F2N3O3 — CID 11475949

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(C(C)CC(C)=O)cn1
InChIInChI=1S/C23H27F2N3O3/c1-4-5-20(27-22(30)11-16-9-18(24)12-19(25)10-16)23(31)28-21-7-6-17(13-26-21)14(2)8-15(3)29/h6-7,9-10,12-14,20H,4-5,8,11H2,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyHUOCUNARMLDYTP-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.91
Rot. Bonds10

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide (PubChem CID 11475949) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide
PubChem CID11475949
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(C(C)CC(C)=O)cn1
InChIInChI=1S/C23H27F2N3O3/c1-4-5-20(27-22(30)11-16-9-18(24)12-19(25)10-16)23(31)28-21-7-6-17(13-26-21)14(2)8-15(3)29/h6-7,9-10,12-14,20H,4-5,8,11H2,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyHUOCUNARMLDYTP-UHFFFAOYSA-N
XLogP3.91
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide (CID 11475949) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(C(C)CC(C)=O)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide?
The InChIKey is HUOCUNARMLDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-4-5-20(27-22(30)11-16-9-18(24)12-19(25)10-16)23(31)28-21-7-6-17(13-26-21)14(2)8-15(3)29/h6-7,9-10,12-14,20H,4-5,8,11H2,1-3H3,(H,27,30)(H,26,28,31).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide has a molecular weight of 431.48 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide is sourced from PubChem (CID 11475949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).