N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C26H25N3O — CID 10157539

IUPACN-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1ccncc1)C1CCC1
InChIInChI=1S/C26H25N3O/c30-25(29(21-9-6-10-21)18-19-13-15-27-16-14-19)17-23-22-11-4-5-12-24(22)28-26(23)20-7-2-1-3-8-20/h1-5,7-8,11-16,21,28H,6,9-10,17-18H2
InChIKeyXTDOIJITKNQUGM-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.35
Rot. Bonds6

About N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 10157539) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID10157539
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1ccncc1)C1CCC1
InChIInChI=1S/C26H25N3O/c30-25(29(21-9-6-10-21)18-19-13-15-27-16-14-19)17-23-22-11-4-5-12-24(22)28-26(23)20-7-2-1-3-8-20/h1-5,7-8,11-16,21,28H,6,9-10,17-18H2
InChIKeyXTDOIJITKNQUGM-UHFFFAOYSA-N
XLogP5.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 10157539) is N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1ccncc1)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XTDOIJITKNQUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-25(29(21-9-6-10-21)18-19-13-15-27-16-14-19)17-23-22-11-4-5-12-24(22)28-26(23)20-7-2-1-3-8-20/h1-5,7-8,11-16,21,28H,6,9-10,17-18H2.
What are the key properties of N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 10157539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).