N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide

C13H18BrN3O — CID 79734509

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(C)c(Br)cn2)CCNC1
InChIInChI=1S/C13H18BrN3O/c1-3-13(4-5-15-8-13)12(18)17-11-6-9(2)10(14)7-16-11/h6-7,15H,3-5,8H2,1-2H3,(H,16,17,18)
InChIKeyCWPLXOYPZLZJIZ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.48
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 79734509) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID79734509
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(C)c(Br)cn2)CCNC1
InChIInChI=1S/C13H18BrN3O/c1-3-13(4-5-15-8-13)12(18)17-11-6-9(2)10(14)7-16-11/h6-7,15H,3-5,8H2,1-2H3,(H,16,17,18)
InChIKeyCWPLXOYPZLZJIZ-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-5-bromopyridine
CID 293097
N-(5-bromopyridin-2-yl)-3-cyclopentylpropanamide
CID 599999
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
N-(4-Methyl-2-pyridyl)acetamide
CID 220485
2-Acetylamino-5-bromo-3-methylpyridine
CID 901948
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
N-(5-bromo-2-pyridinyl)heptanamide
CID 2225203
N-(5-bromo-2-pyridinyl)butanamide
CID 876084
N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
CID 2883391
2,2-Dimethyl-N-(4-Methyl-2-pyridyl)propionamide
CID 3531485
2-Acetamido-5-bromo-4-methylpyridine
CID 15179563

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide (CID 79734509) is N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cc(C)c(Br)cn2)CCNC1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is CWPLXOYPZLZJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-3-13(4-5-15-8-13)12(18)17-11-6-9(2)10(14)7-16-11/h6-7,15H,3-5,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79734509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).