2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide

C18H26N4O — CID 3489327

IUPAC2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
SMILESCn1c2c(c(C#N)c1NC(=O)CN1CCCCCC1)CCCC2
InChIInChI=1S/C18H26N4O/c1-21-16-9-5-4-8-14(16)15(12-19)18(21)20-17(23)13-22-10-6-2-3-7-11-22/h2-11,13H2,1H3,(H,20,23)
InChIKeyAMXARSUJGGEYIV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.59
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide

2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide (PubChem CID 3489327) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
PubChem CID3489327
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
SMILESCn1c2c(c(C#N)c1NC(=O)CN1CCCCCC1)CCCC2
InChIInChI=1S/C18H26N4O/c1-21-16-9-5-4-8-14(16)15(12-19)18(21)20-17(23)13-22-10-6-2-3-7-11-22/h2-11,13H2,1H3,(H,20,23)
InChIKeyAMXARSUJGGEYIV-UHFFFAOYSA-N
XLogP2.59
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide (CID 3489327) is 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide is Cn1c2c(c(C#N)c1NC(=O)CN1CCCCCC1)CCCC2.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
The InChIKey is AMXARSUJGGEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-16-9-5-4-8-14(16)15(12-19)18(21)20-17(23)13-22-10-6-2-3-7-11-22/h2-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3-cyano-1-methyl-4,5,6,7-tetrahydroindol-2-yl)acetamide is sourced from PubChem (CID 3489327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).