tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate

C20H33N3O2 — CID 102540766

IUPACtert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate
SMILESCCN1CCCC1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C20H33N3O2/c1-7-22-12-8-9-17(22)16-10-11-18(21-13-16)23(14-15(2)3)19(24)25-20(4,5)6/h10-11,13,15,17H,7-9,12,14H2,1-6H3
InChIKeyIUZIZWWQZXXVEM-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.64
Rot. Bonds5

About tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate

tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate (PubChem CID 102540766) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate
PubChem CID102540766
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nametert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate
SMILESCCN1CCCC1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C20H33N3O2/c1-7-22-12-8-9-17(22)16-10-11-18(21-13-16)23(14-15(2)3)19(24)25-20(4,5)6/h10-11,13,15,17H,7-9,12,14H2,1-6H3
InChIKeyIUZIZWWQZXXVEM-UHFFFAOYSA-N
XLogP4.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate (CID 102540766) is tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate is CCN1CCCC1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate?
The InChIKey is IUZIZWWQZXXVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-22-12-8-9-17(22)16-10-11-18(21-13-16)23(14-15(2)3)19(24)25-20(4,5)6/h10-11,13,15,17H,7-9,12,14H2,1-6H3.
What are the key properties of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate?
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate has a molecular weight of 347.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 102540766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).