tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate

C19H31N3O2 — CID 102540926

IUPACtert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
SMILESCCN1CCCC1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C19H31N3O2/c1-7-21-12-8-9-16(21)15-10-11-17(20-13-15)22(14(2)3)18(23)24-19(4,5)6/h10-11,13-14,16H,7-9,12H2,1-6H3
InChIKeyMNBIYXQAFKTPJI-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.39
Rot. Bonds4

About tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate

tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate (PubChem CID 102540926) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
PubChem CID102540926
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
SMILESCCN1CCCC1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C19H31N3O2/c1-7-21-12-8-9-16(21)15-10-11-17(20-13-15)22(14(2)3)18(23)24-19(4,5)6/h10-11,13-14,16H,7-9,12H2,1-6H3
InChIKeyMNBIYXQAFKTPJI-UHFFFAOYSA-N
XLogP4.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.39
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-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate (CID 102540926) is tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate is CCN1CCCC1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate?
The InChIKey is MNBIYXQAFKTPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-7-21-12-8-9-16(21)15-10-11-17(20-13-15)22(14(2)3)18(23)24-19(4,5)6/h10-11,13-14,16H,7-9,12H2,1-6H3.
What are the key properties of tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate?
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate has a molecular weight of 333.48 g/mol, XLogP of 4.39, 4 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-propan-2-ylcarbamate is sourced from PubChem (CID 102540926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).