4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide

C12H10BrCl2N3O — CID 114051091

IUPAC4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H10BrCl2N3O/c1-6-3-9(14)16-11(15)10(6)17-12(19)8-4-7(13)5-18(8)2/h3-5H,1-2H3,(H,17,19)
InChIKeyGAPSEUHWPLKMBB-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.05
Rot. Bonds2

About 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide (PubChem CID 114051091) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
PubChem CID114051091
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC Name4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H10BrCl2N3O/c1-6-3-9(14)16-11(15)10(6)17-12(19)8-4-7(13)5-18(8)2/h3-5H,1-2H3,(H,17,19)
InChIKeyGAPSEUHWPLKMBB-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499
4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
CID 43411301
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 114051353
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114051086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide (CID 114051091) is 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is GAPSEUHWPLKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c1-6-3-9(14)16-11(15)10(6)17-12(19)8-4-7(13)5-18(8)2/h3-5H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 363.04 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114051091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).