4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide

C13H14BrN3O2 — CID 54867134

IUPAC4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Br)cn2C)ccc1=O
InChIInChI=1S/C13H14BrN3O2/c1-3-17-8-10(4-5-12(17)18)15-13(19)11-6-9(14)7-16(11)2/h4-8H,3H2,1-2H3,(H,15,19)
InChIKeyFJTFYEQIEIVHCH-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.22
Rot. Bonds3

About 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide (PubChem CID 54867134) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
PubChem CID54867134
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Br)cn2C)ccc1=O
InChIInChI=1S/C13H14BrN3O2/c1-3-17-8-10(4-5-12(17)18)15-13(19)11-6-9(14)7-16(11)2/h4-8H,3H2,1-2H3,(H,15,19)
InChIKeyFJTFYEQIEIVHCH-UHFFFAOYSA-N
XLogP2.22
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide
CID 153398122
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 146323320
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide (CID 54867134) is 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide is CCn1cc(NC(=O)c2cc(Br)cn2C)ccc1=O.
What is the InChIKey of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FJTFYEQIEIVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-17-8-10(4-5-12(17)18)15-13(19)11-6-9(14)7-16(11)2/h4-8H,3H2,1-2H3,(H,15,19).
What are the key properties of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 54867134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).