tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate

C21H24FN3O3 — CID 102410009

IUPACtert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC(=O)c2ccccn2)cc1F
InChIInChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)25-12-6-8-18(25)15-10-9-14(13-16(15)22)24-19(26)17-7-4-5-11-23-17/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyCPRGJZYOHIGICQ-GOSISDBHSA-N
MW385.44 g/mol
LogP4.55
Rot. Bonds3

About tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate (PubChem CID 102410009) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate
PubChem CID102410009
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Nametert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC(=O)c2ccccn2)cc1F
InChIInChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)25-12-6-8-18(25)15-10-9-14(13-16(15)22)24-19(26)17-7-4-5-11-23-17/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyCPRGJZYOHIGICQ-GOSISDBHSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
tert-butyl (3S)-3-[4-[(4-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]morpholine-4-carboxylate
CID 172791038
tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate
CID 53419955
tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
CID 164551558
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CID 144843357
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl (2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine-1-carboxylate
CID 124634924
tert-butyl 2-[[2-amino-4-[(3-chloro-4-fluorophenyl)carbamoyl]-3-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 122686821
tert-butyl 4-[2,6-difluoro-4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]phenoxy]piperidine-1-carboxylate
CID 70949307
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate (CID 102410009) is tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC(=O)c2ccccn2)cc1F.
What is the InChIKey of tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate?
The InChIKey is CPRGJZYOHIGICQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)25-12-6-8-18(25)15-10-9-14(13-16(15)22)24-19(26)17-7-4-5-11-23-17/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 102410009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).