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

C16H23N3O3 — CID 102540671

IUPACtert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(=O)N1CCCC1c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O3/c1-11(20)19-10-6-8-13(19)12-7-5-9-17-14(12)18-15(21)22-16(2,3)4/h5,7,9,13H,6,8,10H2,1-4H3,(H,17,18,21)
InChIKeyJRNZYSJELYNRTJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.11
Rot. Bonds2

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

tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102540671) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102540671
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(=O)N1CCCC1c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O3/c1-11(20)19-10-6-8-13(19)12-7-5-9-17-14(12)18-15(21)22-16(2,3)4/h5,7,9,13H,6,8,10H2,1-4H3,(H,17,18,21)
InChIKeyJRNZYSJELYNRTJ-UHFFFAOYSA-N
XLogP3.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540668
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540684
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541151
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540145
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate (CID 102540671) is tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate is CC(=O)N1CCCC1c1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is JRNZYSJELYNRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(20)19-10-6-8-13(19)12-7-5-9-17-14(12)18-15(21)22-16(2,3)4/h5,7,9,13H,6,8,10H2,1-4H3,(H,17,18,21).
What are the key properties of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102540671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).