N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C11H14BrN3O — CID 66187704

IUPACN-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NC1CNC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H14BrN3O/c12-7-3-10(15(6-7)9-1-2-9)11(16)14-8-4-13-5-8/h3,6,8-9,13H,1-2,4-5H2,(H,14,16)
InChIKeyGTVOMAYISNYYHW-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.29
Rot. Bonds3

About N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 66187704) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID66187704
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NC1CNC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H14BrN3O/c12-7-3-10(15(6-7)9-1-2-9)11(16)14-8-4-13-5-8/h3,6,8-9,13H,1-2,4-5H2,(H,14,16)
InChIKeyGTVOMAYISNYYHW-UHFFFAOYSA-N
XLogP1.29
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446
N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
CID 64747843
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 66187704) is N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is O=C(NC1CNC1)c1cc(Br)cn1C1CC1.
What is the InChIKey of N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is GTVOMAYISNYYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-7-3-10(15(6-7)9-1-2-9)11(16)14-8-4-13-5-8/h3,6,8-9,13H,1-2,4-5H2,(H,14,16).
What are the key properties of N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 66187704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).