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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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163348279
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839552

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).