2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide

C29H32FN3O2 — CID 143708334

IUPAC2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
SMILESCC(C)COc1cc(F)cc(CNC(=O)Cc2ccc(-c3ccc(N4C=CCCC4)cc3)cn2)c1
InChIInChI=1S/C29H32FN3O2/c1-21(2)20-35-28-15-22(14-25(30)16-28)18-32-29(34)17-26-9-6-24(19-31-26)23-7-10-27(11-8-23)33-12-4-3-5-13-33/h4,6-12,14-16,19,21H,3,5,13,17-18,20H2,1-2H3,(H,32,34)
InChIKeyTVDOZPIBPYSXGP-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.90
Rot. Bonds9

About 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide

2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide (PubChem CID 143708334) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
PubChem CID143708334
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
SMILESCC(C)COc1cc(F)cc(CNC(=O)Cc2ccc(-c3ccc(N4C=CCCC4)cc3)cn2)c1
InChIInChI=1S/C29H32FN3O2/c1-21(2)20-35-28-15-22(14-25(30)16-28)18-32-29(34)17-26-9-6-24(19-31-26)23-7-10-27(11-8-23)33-12-4-3-5-13-33/h4,6-12,14-16,19,21H,3,5,13,17-18,20H2,1-2H3,(H,32,34)
InChIKeyTVDOZPIBPYSXGP-UHFFFAOYSA-N
XLogP5.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide (CID 143708334) is 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide is CC(C)COc1cc(F)cc(CNC(=O)Cc2ccc(-c3ccc(N4C=CCCC4)cc3)cn2)c1.
What is the InChIKey of 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
The InChIKey is TVDOZPIBPYSXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-21(2)20-35-28-15-22(14-25(30)16-28)18-32-29(34)17-26-9-6-24(19-31-26)23-7-10-27(11-8-23)33-12-4-3-5-13-33/h4,6-12,14-16,19,21H,3,5,13,17-18,20H2,1-2H3,(H,32,34).
What are the key properties of 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide has a molecular weight of 473.59 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 143708334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).