cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate

C25H30N4O3 — CID 70844167

IUPACcyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC4CCCC4)nc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H30N4O3/c1-2-31-19-11-12-20-21(14-19)29(17-6-5-7-17)24(23(20)26)16-10-13-22(27-15-16)28-25(30)32-18-8-3-4-9-18/h10-15,17-18H,2-9,26H2,1H3,(H,27,28,30)
InChIKeyYPGIPHMZMKQDDO-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.90
Rot. Bonds6

About cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate

cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate (PubChem CID 70844167) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate
PubChem CID70844167
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Namecyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC4CCCC4)nc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H30N4O3/c1-2-31-19-11-12-20-21(14-19)29(17-6-5-7-17)24(23(20)26)16-10-13-22(27-15-16)28-25(30)32-18-8-3-4-9-18/h10-15,17-18H,2-9,26H2,1H3,(H,27,28,30)
InChIKeyYPGIPHMZMKQDDO-UHFFFAOYSA-N
XLogP5.90
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate (CID 70844167) is cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate is CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC4CCCC4)nc3)n(C3CCC3)c2c1.
What is the InChIKey of cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate?
The InChIKey is YPGIPHMZMKQDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-31-19-11-12-20-21(14-19)29(17-6-5-7-17)24(23(20)26)16-10-13-22(27-15-16)28-25(30)32-18-8-3-4-9-18/h10-15,17-18H,2-9,26H2,1H3,(H,27,28,30).
What are the key properties of cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate?
cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate has a molecular weight of 434.54 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 70844167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).