tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate

C15H20BrN3O3 — CID 122598224

IUPACtert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-7-6-11(9-19)18-13(20)12-5-4-10(16)8-17-12/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,20)/t11-/m1/s1
InChIKeyCWTVMYVEIPSRNE-LLVKDONJSA-N
MW370.25 g/mol
LogP2.58
Rot. Bonds2

About tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 122598224) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID122598224
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Nametert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-7-6-11(9-19)18-13(20)12-5-4-10(16)8-17-12/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,20)/t11-/m1/s1
InChIKeyCWTVMYVEIPSRNE-LLVKDONJSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromo-1H-pyrrol-2-yl)(piperidin-1-yl)methanone
CID 2766365
N-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}-N-methylpyridine-2-carboxamide
CID 3515437
(4-bromo-1-methyl-1H-pyrrol-2-yl)(4-methylpiperazino)methanone
CID 16412761
5-Bromo-N-methylpyridine-2-carboxamide
CID 22831620
N-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}pyridine-2-carboxamide
CID 3288555
N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 1987136
5-Bromopyridine-2-carboxamide
CID 735151
N-(3-((3-(Dimethylamino)propyl)amino)propyl)picolinamide
CID 653482
N-[3-[(4-bromobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2988158
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 3236134
N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-pyrrolecarboxamide
CID 24979961
N-benzyl-4-bromo-N-propyl-1H-pyrrole-2-carboxamide
CID 31741324

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate (CID 122598224) is tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)cn2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is CWTVMYVEIPSRNE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-7-6-11(9-19)18-13(20)12-5-4-10(16)8-17-12/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,20)/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 370.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(5-bromopyridine-2-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 122598224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).