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

N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
1-amino-N-(5-bromo-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 79734115
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
CID 63139661
3-ethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-3-carboxamide
CID 113433541
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
N-(5-bromo-4-methyl-2-pyridinyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 80590582
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717

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).