2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide

C13H13BrClN3O — CID 166404983

IUPAC2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H13BrClN3O/c1-17-7-10(15)6-11(17)8-18(2)13(19)9-3-4-16-12(14)5-9/h3-7H,8H2,1-2H3
InChIKeyGHPHOISMUZUVMG-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.11
Rot. Bonds3

About 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide

2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 166404983) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID166404983
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H13BrClN3O/c1-17-7-10(15)6-11(17)8-18(2)13(19)9-3-4-16-12(14)5-9/h3-7H,8H2,1-2H3
InChIKeyGHPHOISMUZUVMG-UHFFFAOYSA-N
XLogP3.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154801278
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 167790661
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103801002
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 113255509
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide (CID 166404983) is 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1cc(Cl)cn1C)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is GHPHOISMUZUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-17-7-10(15)6-11(17)8-18(2)13(19)9-3-4-16-12(14)5-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide?
2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 342.62 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 166404983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).