1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide

C13H18BrN3O — CID 171704130

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(=O)N(C)C)C1
InChIInChI=1S/C13H18BrN3O/c1-9-6-11(14)7-15-12(9)17-5-4-10(8-17)13(18)16(2)3/h6-7,10H,4-5,8H2,1-3H3
InChIKeyQILSCYINIWVRAA-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.07
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide

1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 171704130) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID171704130
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(=O)N(C)C)C1
InChIInChI=1S/C13H18BrN3O/c1-9-6-11(14)7-15-12(9)17-5-4-10(8-17)13(18)16(2)3/h6-7,10H,4-5,8H2,1-3H3
InChIKeyQILSCYINIWVRAA-UHFFFAOYSA-N
XLogP2.07
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 171704130) is 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide is Cc1cc(Br)cnc1N1CCC(C(=O)N(C)C)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is QILSCYINIWVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-6-11(14)7-15-12(9)17-5-4-10(8-17)13(18)16(2)3/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide?
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 171704130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).