tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate

C19H32N4O2 — CID 177041067

IUPACtert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C(C)CN(C)c1ccnc2c1CCN2
InChIInChI=1S/C19H32N4O2/c1-13(2)23(18(24)25-19(4,5)6)14(3)12-22(7)16-9-11-21-17-15(16)8-10-20-17/h9,11,13-14H,8,10,12H2,1-7H3,(H,20,21)
InChIKeyOCOLDAALBCEAEP-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.52
Rot. Bonds5

About tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate

tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate (PubChem CID 177041067) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate
PubChem CID177041067
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C(C)CN(C)c1ccnc2c1CCN2
InChIInChI=1S/C19H32N4O2/c1-13(2)23(18(24)25-19(4,5)6)14(3)12-22(7)16-9-11-21-17-15(16)8-10-20-17/h9,11,13-14H,8,10,12H2,1-7H3,(H,20,21)
InChIKeyOCOLDAALBCEAEP-UHFFFAOYSA-N
XLogP3.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(propyl)amino]-2-ethylbutanoate
CID 177040363
tert-butyl 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,7,7-trimethyloctanoate
CID 177041143
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
tert-butyl N-[(4-bromo-3-propan-2-yl-2-pyridinyl)methyl]-N-propan-2-ylcarbamate
CID 177314326
[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid
CID 163278196
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
CID 156580262
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl N-[4-(bromomethyl)-3-fluoro-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161634
tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541081
tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 126849818
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate (CID 177041067) is tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)C(C)CN(C)c1ccnc2c1CCN2.
What is the InChIKey of tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate?
The InChIKey is OCOLDAALBCEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-13(2)23(18(24)25-19(4,5)6)14(3)12-22(7)16-9-11-21-17-15(16)8-10-20-17/h9,11,13-14H,8,10,12H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate?
tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate has a molecular weight of 348.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl(methyl)amino]propan-2-yl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 177041067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).