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

C13H13BrN2O2 — CID 114103071

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN2O2/c1-3-11-9(4-5-18-11)13(17)16-12-6-8(2)10(14)7-15-12/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyXKYSOEAIIMBSMK-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.56
Rot. Bonds3

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

N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide (PubChem CID 114103071) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide
PubChem CID114103071
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN2O2/c1-3-11-9(4-5-18-11)13(17)16-12-6-8(2)10(14)7-15-12/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyXKYSOEAIIMBSMK-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide
CID 114103078
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245636
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
CID 114150518

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide (CID 114103071) is N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide?
The InChIKey is XKYSOEAIIMBSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-3-11-9(4-5-18-11)13(17)16-12-6-8(2)10(14)7-15-12/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114103071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).