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

C15H21N3O4 — CID 156565952

IUPACtert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
SMILESCOCCOc1ccc2[nH]cc(NC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-11-9-16-10-5-6-12(18-13(10)11)21-8-7-20-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,19)
InChIKeyJDSLQYZYARUXJV-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.94
Rot. Bonds5

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

tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate (PubChem CID 156565952) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
PubChem CID156565952
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nametert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
SMILESCOCCOc1ccc2[nH]cc(NC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-11-9-16-10-5-6-12(18-13(10)11)21-8-7-20-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,19)
InChIKeyJDSLQYZYARUXJV-UHFFFAOYSA-N
XLogP2.94
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(5-iodo-1H-indol-3-yl)carbamate
CID 156865208
tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate
CID 177332343
3-fluoro-N-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(4,4,4-trifluorobutoxy)benzamide
CID 162445134
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[5-(2-hydroxypropyl)-1H-indol-3-yl]carbamate
CID 167467699
2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide
CID 100773295
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
tert-butyl N-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]carbamate
CID 156778145
tert-butyl N-[4-iodo-5-(2-methoxyethoxy)-2-nitrophenyl]carbamate
CID 70002363
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525
2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol
CID 121439477
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
CID 70964464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate (CID 156565952) is tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate is COCCOc1ccc2[nH]cc(NC(=O)OC(C)(C)C)c2n1.
What is the InChIKey of tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate?
The InChIKey is JDSLQYZYARUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-11-9-16-10-5-6-12(18-13(10)11)21-8-7-20-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate?
tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 156565952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).