1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide

C19H15BrF3N3O2 — CID 55993941

IUPAC1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(C)n1-c1cccc(Br)c1
InChIInChI=1S/C19H15BrF3N3O2/c1-10-6-15(11(2)26(10)14-5-3-4-13(20)8-14)17(27)25-16-7-12(19(21,22)23)9-24-18(16)28/h3-9H,1-2H3,(H,24,28)(H,25,27)
InChIKeyOGQONKXPMOQSDR-UHFFFAOYSA-N
MW454.25 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide

1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide (PubChem CID 55993941) has the molecular formula C19H15BrF3N3O2 and a molecular weight of 454.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide
PubChem CID55993941
Molecular FormulaC19H15BrF3N3O2
Molecular Weight454.25 g/mol
Exact Mass453.03
IUPAC Name1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(C)n1-c1cccc(Br)c1
InChIInChI=1S/C19H15BrF3N3O2/c1-10-6-15(11(2)26(10)14-5-3-4-13(20)8-14)17(27)25-16-7-12(19(21,22)23)9-24-18(16)28/h3-9H,1-2H3,(H,24,28)(H,25,27)
InChIKeyOGQONKXPMOQSDR-UHFFFAOYSA-N
XLogP4.82
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.25
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-2,5-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrole-3-carboxamide
CID 52725726
1-(3-bromophenyl)-N-(3-carbamoyl-4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55912306
1-(3-bromophenyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 52708985
1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119389561
2-(3-bromophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 49161237
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847
1-(3-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453392
N-[(2S)-1-aminopropan-2-yl]-1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120508435
1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone
CID 2125349
N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 56522082
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120946815
3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
CID 66897712

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide (CID 55993941) is 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(C)n1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide?
The InChIKey is OGQONKXPMOQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N3O2/c1-10-6-15(11(2)26(10)14-5-3-4-13(20)8-14)17(27)25-16-7-12(19(21,22)23)9-24-18(16)28/h3-9H,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide?
1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide has a molecular weight of 454.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 55993941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).