tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate

C15H21N3O2 — CID 163237854

IUPACtert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(n1)CN(C1CC1)C2
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)17-13-7-4-10-8-18(11-5-6-11)9-12(10)16-13/h4,7,11H,5-6,8-9H2,1-3H3,(H,16,17,19)
InChIKeyNANJFGMFTDOWLD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate

tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate (PubChem CID 163237854) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate
PubChem CID163237854
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(n1)CN(C1CC1)C2
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)17-13-7-4-10-8-18(11-5-6-11)9-12(10)16-13/h4,7,11H,5-6,8-9H2,1-3H3,(H,16,17,19)
InChIKeyNANJFGMFTDOWLD-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate
CID 176899055
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
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tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate (CID 163237854) is tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(n1)CN(C1CC1)C2.
What is the InChIKey of tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate?
The InChIKey is NANJFGMFTDOWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)17-13-7-4-10-8-18(11-5-6-11)9-12(10)16-13/h4,7,11H,5-6,8-9H2,1-3H3,(H,16,17,19).
What are the key properties of tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate?
tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate is sourced from PubChem (CID 163237854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).