tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate

C19H30N4O4 — CID 123619076

IUPACtert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate
SMILESCN1CCCC1c1cncc(OCCNC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N4O4/c1-19(2,3)27-18(25)22-13-17(24)21-7-9-26-15-10-14(11-20-12-15)16-6-5-8-23(16)4/h10-12,16H,5-9,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyIJSHRMYYUXFDSL-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.87
Rot. Bonds7

About tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate (PubChem CID 123619076) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate
PubChem CID123619076
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nametert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate
SMILESCN1CCCC1c1cncc(OCCNC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N4O4/c1-19(2,3)27-18(25)22-13-17(24)21-7-9-26-15-10-14(11-20-12-15)16-6-5-8-23(16)4/h10-12,16H,5-9,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyIJSHRMYYUXFDSL-UHFFFAOYSA-N
XLogP1.87
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid
CID 141313321
3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
CID 76816664
2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
CID 58537411
5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
CID 76816641
7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
CID 58537445
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
tert-butyl N-[2-[(5-iodo-3-pyridinyl)oxy]ethyl]carbamate
CID 145472703
[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl] hydrogen sulfate
CID 139595012
2-[2-[2-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
CID 89482414
tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 144936831
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
tert-butyl N-[2-[2-(5-iodopyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 118429390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate (CID 123619076) is tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate is CN1CCCC1c1cncc(OCCNC(=O)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate?
The InChIKey is IJSHRMYYUXFDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-19(2,3)27-18(25)22-13-17(24)21-7-9-26-15-10-14(11-20-12-15)16-6-5-8-23(16)4/h10-12,16H,5-9,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 123619076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).