2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide

C24H29F2N3O2 — CID 11281819

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide
SMILESC=C(CCCC)c1ccc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C24H29F2N3O2/c1-4-6-8-16(3)18-9-10-22(27-15-18)29-24(31)21(7-5-2)28-23(30)13-17-11-19(25)14-20(26)12-17/h9-12,14-15,21H,3-8,13H2,1-2H3,(H,28,30)(H,27,29,31)
InChIKeyJVRBTEYSHJSQSQ-UHFFFAOYSA-N
MW429.51 g/mol
LogP5.03
Rot. Bonds11

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide (PubChem CID 11281819) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide
PubChem CID11281819
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide
SMILESC=C(CCCC)c1ccc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C24H29F2N3O2/c1-4-6-8-16(3)18-9-10-22(27-15-18)29-24(31)21(7-5-2)28-23(30)13-17-11-19(25)14-20(26)12-17/h9-12,14-15,21H,3-8,13H2,1-2H3,(H,28,30)(H,27,29,31)
InChIKeyJVRBTEYSHJSQSQ-UHFFFAOYSA-N
XLogP5.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide (CID 11281819) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide is C=C(CCCC)c1ccc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide?
The InChIKey is JVRBTEYSHJSQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c1-4-6-8-16(3)18-9-10-22(27-15-18)29-24(31)21(7-5-2)28-23(30)13-17-11-19(25)14-20(26)12-17/h9-12,14-15,21H,3-8,13H2,1-2H3,(H,28,30)(H,27,29,31).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide has a molecular weight of 429.51 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-hex-1-en-2-yl-2-pyridinyl)pentanamide is sourced from PubChem (CID 11281819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).