tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate

C21H33N3O2 — CID 102541278

IUPACtert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCCN1CCCC1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C21H33N3O2/c1-5-23-15-9-13-18(23)17-12-8-14-22-19(17)24(16-10-6-7-11-16)20(25)26-21(2,3)4/h8,12,14,16,18H,5-7,9-11,13,15H2,1-4H3
InChIKeyKJXMQVPOIUMVRT-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.92
Rot. Bonds4

About tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102541278) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102541278
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nametert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCCN1CCCC1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C21H33N3O2/c1-5-23-15-9-13-18(23)17-12-8-14-22-19(17)24(16-10-6-7-11-16)20(25)26-21(2,3)4/h8,12,14,16,18H,5-7,9-11,13,15H2,1-4H3
InChIKeyKJXMQVPOIUMVRT-UHFFFAOYSA-N
XLogP4.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541149
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541151
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
benzyl 2-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102541216
tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541273
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 124552672
tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541195
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 124552679
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083
tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate (CID 102541278) is tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate is CCN1CCCC1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is KJXMQVPOIUMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-23-15-9-13-18(23)17-12-8-14-22-19(17)24(16-10-6-7-11-16)20(25)26-21(2,3)4/h8,12,14,16,18H,5-7,9-11,13,15H2,1-4H3.
What are the key properties of tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 359.51 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102541278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).