tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate

C16H19N3O3 — CID 167290510

IUPACtert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc3cc(C=O)[nH]c3n2)CC1
InChIInChI=1S/C16H19N3O3/c1-15(2,3)22-14(21)19-16(6-7-16)12-5-4-10-8-11(9-20)17-13(10)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyADNKHAWUNTUWLI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate

tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate (PubChem CID 167290510) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate
PubChem CID167290510
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nametert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc3cc(C=O)[nH]c3n2)CC1
InChIInChI=1S/C16H19N3O3/c1-15(2,3)22-14(21)19-16(6-7-16)12-5-4-10-8-11(9-20)17-13(10)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyADNKHAWUNTUWLI-UHFFFAOYSA-N
XLogP2.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
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tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
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3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
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tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
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tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate
CID 67516007
tert-butyl N-[3,3-difluoro-1-(2H-triazol-4-yl)cyclopentyl]carbamate
CID 154685457
tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
CID 129242449
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate (CID 167290510) is tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc3cc(C=O)[nH]c3n2)CC1.
What is the InChIKey of tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate?
The InChIKey is ADNKHAWUNTUWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-15(2,3)22-14(21)19-16(6-7-16)12-5-4-10-8-11(9-20)17-13(10)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate?
tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate is sourced from PubChem (CID 167290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).