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

C18H29N3O2 — CID 102540798

IUPACtert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1ccc(C2CCCN2CC)cn1
InChIInChI=1S/C18H29N3O2/c1-6-20-12-8-9-15(20)14-10-11-16(19-13-14)21(7-2)17(22)23-18(3,4)5/h10-11,13,15H,6-9,12H2,1-5H3
InChIKeyMJOBDHGTKGEHGY-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.00
Rot. Bonds4

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

tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102540798) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102540798
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1ccc(C2CCCN2CC)cn1
InChIInChI=1S/C18H29N3O2/c1-6-20-12-8-9-15(20)14-10-11-16(19-13-14)21(7-2)17(22)23-18(3,4)5/h10-11,13,15H,6-9,12H2,1-5H3
InChIKeyMJOBDHGTKGEHGY-UHFFFAOYSA-N
XLogP4.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate
CID 102540766
tert-butyl N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540843
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540702
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540926
tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541195
tert-butyl N-butyl-N-[5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 102540996
tert-butyl N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540827
tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541132
tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540942
benzyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540832
tert-butyl N-cyclobutyl-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541179
tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate (CID 102540798) is tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate is CCN(C(=O)OC(C)(C)C)c1ccc(C2CCCN2CC)cn1.
What is the InChIKey of tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is MJOBDHGTKGEHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-20-12-8-9-15(20)14-10-11-16(19-13-14)21(7-2)17(22)23-18(3,4)5/h10-11,13,15H,6-9,12H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102540798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).