N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide

C22H26FN5O — CID 166239841

IUPACN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)Cn3ccc4ccc(F)cc43)nc2)CC1
InChIInChI=1S/C22H26FN5O/c1-26(2)18-8-11-27(12-9-18)19-5-6-21(24-14-19)25-22(29)15-28-10-7-16-3-4-17(23)13-20(16)28/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,25,29)
InChIKeyQMDJVSWPMCUVFF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.34
Rot. Bonds5

About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide (PubChem CID 166239841) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
PubChem CID166239841
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)Cn3ccc4ccc(F)cc43)nc2)CC1
InChIInChI=1S/C22H26FN5O/c1-26(2)18-8-11-27(12-9-18)19-5-6-21(24-14-19)25-22(29)15-28-10-7-16-3-4-17(23)13-20(16)28/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,25,29)
InChIKeyQMDJVSWPMCUVFF-UHFFFAOYSA-N
XLogP3.34
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide (CID 166239841) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide is CN(C)C1CCN(c2ccc(NC(=O)Cn3ccc4ccc(F)cc43)nc2)CC1.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide?
The InChIKey is QMDJVSWPMCUVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-26(2)18-8-11-27(12-9-18)19-5-6-21(24-14-19)25-22(29)15-28-10-7-16-3-4-17(23)13-20(16)28/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,25,29).
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide is sourced from PubChem (CID 166239841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).