cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate

C15H19N3O2 — CID 154652727

IUPACcyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate
SMILESO=C(Nc1c[nH]c2cccnc12)OCC1CCCCC1
InChIInChI=1S/C15H19N3O2/c19-15(20-10-11-5-2-1-3-6-11)18-13-9-17-12-7-4-8-16-14(12)13/h4,7-9,11,17H,1-3,5-6,10H2,(H,18,19)
InChIKeyGWBSYTKBYVYNGG-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.69
Rot. Bonds3

About cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate

cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate (PubChem CID 154652727) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate
PubChem CID154652727
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namecyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate
SMILESO=C(Nc1c[nH]c2cccnc12)OCC1CCCCC1
InChIInChI=1S/C15H19N3O2/c19-15(20-10-11-5-2-1-3-6-11)18-13-9-17-12-7-4-8-16-14(12)13/h4,7-9,11,17H,1-3,5-6,10H2,(H,18,19)
InChIKeyGWBSYTKBYVYNGG-UHFFFAOYSA-N
XLogP3.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate?
The IUPAC name of cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate (CID 154652727) is cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate.
What is the SMILES notation for cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate?
The canonical SMILES for cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate is O=C(Nc1c[nH]c2cccnc12)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate?
The InChIKey is GWBSYTKBYVYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20-10-11-5-2-1-3-6-11)18-13-9-17-12-7-4-8-16-14(12)13/h4,7-9,11,17H,1-3,5-6,10H2,(H,18,19).
What are the key properties of cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate?
cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate is sourced from PubChem (CID 154652727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).