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

C15H21N3O3 — CID 102540668

IUPACtert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncccc1C1CCCN1C=O
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)17-13-11(6-4-8-16-13)12-7-5-9-18(12)10-19/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,17,20)
InChIKeyJXIYQUGMDOUZSY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds3

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

tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102540668) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102540668
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncccc1C1CCCN1C=O
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)17-13-11(6-4-8-16-13)12-7-5-9-18(12)10-19/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,17,20)
InChIKeyJXIYQUGMDOUZSY-UHFFFAOYSA-N
XLogP2.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540684
2-[2-(butylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102540252
tert-butyl N-butan-2-yl-N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541084
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540145
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl 3-[[(3-hydroxy-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71631128
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl N-[4-chloro-3-[2-(1-methylpiperidin-3-yl)ethynyl]-2-pyridinyl]carbamate
CID 90419814

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate (CID 102540668) is tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ncccc1C1CCCN1C=O.
What is the InChIKey of tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is JXIYQUGMDOUZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)17-13-11(6-4-8-16-13)12-7-5-9-18(12)10-19/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,17,20).
What are the key properties of tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.72, 3 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-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102540668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).