methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate

C11H15BrN4O2 — CID 103518427

IUPACmethyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2c(N)cncc2Br)C1
InChIInChI=1S/C11H15BrN4O2/c1-18-11(17)15-7-2-3-16(6-7)10-8(12)4-14-5-9(10)13/h4-5,7H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyDMYRVEOOFXMRCY-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.36
Rot. Bonds2

About methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate (PubChem CID 103518427) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate
PubChem CID103518427
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Namemethyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2c(N)cncc2Br)C1
InChIInChI=1S/C11H15BrN4O2/c1-18-11(17)15-7-2-3-16(6-7)10-8(12)4-14-5-9(10)13/h4-5,7H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyDMYRVEOOFXMRCY-UHFFFAOYSA-N
XLogP1.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(3-bromo-5-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 139392588
methyl N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113413422
methyl N-[1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-yl]carbamate
CID 113424237
5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114407627
methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113402668
5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
CID 103518287
methyl N-[(3S)-1-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 140529230
5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
CID 103530687
1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol
CID 106667492
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate (CID 103518427) is methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(c2c(N)cncc2Br)C1.
What is the InChIKey of methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate?
The InChIKey is DMYRVEOOFXMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-18-11(17)15-7-2-3-16(6-7)10-8(12)4-14-5-9(10)13/h4-5,7H,2-3,6,13H2,1H3,(H,15,17).
What are the key properties of methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate has a molecular weight of 315.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 103518427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).