tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate

C19H28N4O3 — CID 146593158

IUPACtert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
SMILESC[C@@H]1CCCN1c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CNC2=O
InChIInChI=1S/C19H28N4O3/c1-12-7-6-8-23(12)16-9-13-14(10-20-17(13)24)15(21-16)11-22(5)18(25)26-19(2,3)4/h9,12H,6-8,10-11H2,1-5H3,(H,20,24)/t12-/m1/s1
InChIKeySVEFOMFYZHPHTB-GFCCVEGCSA-N
MW360.46 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate

tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate (PubChem CID 146593158) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
PubChem CID146593158
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
SMILESC[C@@H]1CCCN1c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CNC2=O
InChIInChI=1S/C19H28N4O3/c1-12-7-6-8-23(12)16-9-13-14(10-20-17(13)24)15(21-16)11-22(5)18(25)26-19(2,3)4/h9,12H,6-8,10-11H2,1-5H3,(H,20,24)/t12-/m1/s1
InChIKeySVEFOMFYZHPHTB-GFCCVEGCSA-N
XLogP2.68
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[6-[cyclopropyl(methyl)amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495369
tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146593146
tert-butyl N-[[2-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495274
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
methyl-[[6-(2-methylpyrrolidin-1-yl)-1-oxo-2-[6-[4-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
CID 175589708
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
tert-butyl N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylcarbamate
CID 63787812
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide
CID 168902681
tert-butyl N-methyl-N-[[6-methyl-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146610855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate?
The IUPAC name of 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) is tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate is C[C@@H]1CCCN1c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CNC2=O.
What is the InChIKey of tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate?
The InChIKey is SVEFOMFYZHPHTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12-7-6-8-23(12)16-9-13-14(10-20-17(13)24)15(21-16)11-22(5)18(25)26-19(2,3)4/h9,12H,6-8,10-11H2,1-5H3,(H,20,24)/t12-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate is sourced from PubChem (CID 146593158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).