2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate

C14H19N3O2 — CID 177312274

IUPAC2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate
SMILESCn1ccc2ccc(NC(=O)OCC(C)(C)C)nc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)9-19-13(18)16-11-6-5-10-7-8-17(4)12(10)15-11/h5-8H,9H2,1-4H3,(H,15,16,18)
InChIKeyJOAPURDCMUYVOS-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.17
Rot. Bonds2

About 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate

2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate (PubChem CID 177312274) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate
PubChem CID177312274
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate
SMILESCn1ccc2ccc(NC(=O)OCC(C)(C)C)nc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)9-19-13(18)16-11-6-5-10-7-8-17(4)12(10)15-11/h5-8H,9H2,1-4H3,(H,15,16,18)
InChIKeyJOAPURDCMUYVOS-UHFFFAOYSA-N
XLogP3.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate?
The IUPAC name of 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate (CID 177312274) is 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate is Cn1ccc2ccc(NC(=O)OCC(C)(C)C)nc21.
What is the InChIKey of 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate?
The InChIKey is JOAPURDCMUYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)9-19-13(18)16-11-6-5-10-7-8-17(4)12(10)15-11/h5-8H,9H2,1-4H3,(H,15,16,18).
What are the key properties of 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate?
2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-(1-methylpyrrolo[2,3-b]pyridin-6-yl)carbamate is sourced from PubChem (CID 177312274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).