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

C14H19N3O2 — CID 123540990

IUPACtert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
SMILESCCc1cc2cc(NC(=O)OC(C)(C)C)cnc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-5-10-6-9-7-11(8-15-12(9)16-10)17-13(18)19-14(2,3)4/h6-8H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZNXOYBUSPFRDKV-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.47
Rot. Bonds2

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

tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate (PubChem CID 123540990) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
PubChem CID123540990
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nametert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
SMILESCCc1cc2cc(NC(=O)OC(C)(C)C)cnc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-5-10-6-9-7-11(8-15-12(9)16-10)17-13(18)19-14(2,3)4/h6-8H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZNXOYBUSPFRDKV-UHFFFAOYSA-N
XLogP3.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
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tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
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[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl] ethanesulfonate
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tert-butyl N-[2-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
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tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
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tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
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tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
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chloromethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 165441031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate (CID 123540990) is tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate is CCc1cc2cc(NC(=O)OC(C)(C)C)cnc2[nH]1.
What is the InChIKey of tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate?
The InChIKey is ZNXOYBUSPFRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-10-6-9-7-11(8-15-12(9)16-10)17-13(18)19-14(2,3)4/h6-8H,5H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate?
tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate is sourced from PubChem (CID 123540990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).