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

C10H11N3O2 — CID 141399754

IUPACethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
SMILESCCOC(=O)Nc1c[nH]c2ncccc12
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)13-8-6-12-9-7(8)4-3-5-11-9/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyNPMXWYJLXNLEMV-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.13
Rot. Bonds2

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

ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate (PubChem CID 141399754) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
PubChem CID141399754
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
SMILESCCOC(=O)Nc1c[nH]c2ncccc12
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)13-8-6-12-9-7(8)4-3-5-11-9/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyNPMXWYJLXNLEMV-UHFFFAOYSA-N
XLogP2.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
ethyl (E)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoate
CID 104503426
ethyl (2R)-2-nitro-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 98119872
4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 146641870
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
ethyl 2-(phenylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135395667
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
CID 123379618
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The IUPAC name of ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate (CID 141399754) is ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate is CCOC(=O)Nc1c[nH]c2ncccc12.
What is the InChIKey of ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The InChIKey is NPMXWYJLXNLEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)13-8-6-12-9-7(8)4-3-5-11-9/h3-6H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate has a molecular weight of 205.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate is sourced from PubChem (CID 141399754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).