tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate

C15H21N3O3 — CID 66630666

IUPACtert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccncc2)C1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-9-6-12(10-18)17-13(19)11-4-7-16-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,17,19)
InChIKeyVAANVJHACCFLMP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.82
Rot. Bonds2

About tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate (PubChem CID 66630666) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
PubChem CID66630666
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccncc2)C1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-9-6-12(10-18)17-13(19)11-4-7-16-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,17,19)
InChIKeyVAANVJHACCFLMP-UHFFFAOYSA-N
XLogP1.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl (3R,4S)-4-hydroxy-3-(pyridine-4-carbonylamino)azepane-1-carboxylate
CID 12993582
tert-butyl 3-[(4-azidobenzoyl)amino]pyrrolidine-1-carboxylate
CID 118983509
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
tert-butyl (3R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]pyrrolidine-1-carboxylate
CID 96516600
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl (3R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pyrrolidine-1-carboxylate
CID 71629432
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate (CID 66630666) is tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccncc2)C1.
What is the InChIKey of tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate?
The InChIKey is VAANVJHACCFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-9-6-12(10-18)17-13(19)11-4-7-16-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 66630666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).