tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate

C18H26N4O3 — CID 167495369

IUPACtert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc(N(C)C2CC2)cc2c1CNC2=O)C(=O)OC(C)(C)C
InChIInChI=1S/C18H26N4O3/c1-18(2,3)25-17(24)21(4)10-14-13-9-19-16(23)12(13)8-15(20-14)22(5)11-6-7-11/h8,11H,6-7,9-10H2,1-5H3,(H,19,23)
InChIKeyJELIIYLQNJJJGO-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.29
Rot. Bonds4

About tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate

tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate (PubChem CID 167495369) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
PubChem CID167495369
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nametert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc(N(C)C2CC2)cc2c1CNC2=O)C(=O)OC(C)(C)C
InChIInChI=1S/C18H26N4O3/c1-18(2,3)25-17(24)21(4)10-14-13-9-19-16(23)12(13)8-15(20-14)22(5)11-6-7-11/h8,11H,6-7,9-10H2,1-5H3,(H,19,23)
InChIKeyJELIIYLQNJJJGO-UHFFFAOYSA-N
XLogP2.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[(6-chloro-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl)methyl]-N-methylcarbamate
CID 146611006
tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146593158
methyl 7-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-oxo-1,2-dihydroisoindole-5-carboxylate
CID 157038871
tert-butyl N-[[6-[cyclopentyl(methyl)amino]-2-[6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495092
tert-butyl N-[[2-[6-[4-(3,3-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495119
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
4-[6-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 175589663
tert-butyl N-[[2-[6-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495250
tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 167495239
tert-butyl N-[[2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495121
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651
tert-butyl N-[(5-fluoro-7-formyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 167515004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate (CID 167495369) is tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate is CN(Cc1nc(N(C)C2CC2)cc2c1CNC2=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate?
The InChIKey is JELIIYLQNJJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)25-17(24)21(4)10-14-13-9-19-16(23)12(13)8-15(20-14)22(5)11-6-7-11/h8,11H,6-7,9-10H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate has a molecular weight of 346.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 167495369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).