4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide

C10H14BrN3O — CID 62379331

IUPAC4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1CCNC1
InChIInChI=1S/C10H14BrN3O/c1-14-6-7(11)4-9(14)10(15)13-8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,15)
InChIKeyIAOYXIAPSKVOAK-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.88
Rot. Bonds2

About 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide

4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (PubChem CID 62379331) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
PubChem CID62379331
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1CCNC1
InChIInChI=1S/C10H14BrN3O/c1-14-6-7(11)4-9(14)10(15)13-8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,15)
InChIKeyIAOYXIAPSKVOAK-UHFFFAOYSA-N
XLogP0.88
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 103954038
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
CID 119387080
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (CID 62379331) is 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NC1CCNC1.
What is the InChIKey of 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The InChIKey is IAOYXIAPSKVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14-6-7(11)4-9(14)10(15)13-8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62379331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).