1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide

C11H13BrClN3O — CID 103583251

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C11H13BrClN3O/c1-14-11(17)9-3-2-4-16(9)10-8(13)5-7(12)6-15-10/h5-6,9H,2-4H2,1H3,(H,14,17)
InChIKeyCRUVYSAKMOLMMC-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide

1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 103583251) has the molecular formula C11H13BrClN3O and a molecular weight of 318.60 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID103583251
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C11H13BrClN3O/c1-14-11(17)9-3-2-4-16(9)10-8(13)5-7(12)6-15-10/h5-6,9H,2-4H2,1H3,(H,14,17)
InChIKeyCRUVYSAKMOLMMC-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide (CID 103583251) is 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1ncc(Br)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CRUVYSAKMOLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c1-14-11(17)9-3-2-4-16(9)10-8(13)5-7(12)6-15-10/h5-6,9H,2-4H2,1H3,(H,14,17).
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103583251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).