tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate

C13H17N3O2 — CID 76849185

IUPACtert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc2cc[nH]c2cn1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16(4)11-7-9-5-6-14-10(9)8-15-11/h5-8,14H,1-4H3
InChIKeyQRHRROCURZULTO-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.93
Rot. Bonds1

About tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate

tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate (PubChem CID 76849185) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate
PubChem CID76849185
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc2cc[nH]c2cn1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16(4)11-7-9-5-6-14-10(9)8-15-11/h5-8,14H,1-4H3
InChIKeyQRHRROCURZULTO-UHFFFAOYSA-N
XLogP2.93
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate (CID 76849185) is tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate is CN(C(=O)OC(C)(C)C)c1cc2cc[nH]c2cn1.
What is the InChIKey of tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate?
The InChIKey is QRHRROCURZULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16(4)11-7-9-5-6-14-10(9)8-15-11/h5-8,14H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate?
tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate is sourced from PubChem (CID 76849185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).