N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide

C15H14BrN3O2 — CID 103752363

IUPACN-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-19(15(21)11-7-8-17-13(16)9-11)10-14(20)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyVBTXTNFXQQFGIN-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.55
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide

N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide (PubChem CID 103752363) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
PubChem CID103752363
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-19(15(21)11-7-8-17-13(16)9-11)10-14(20)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyVBTXTNFXQQFGIN-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.55
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

2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 113255509
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752364
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
CID 47047686
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide (CID 103752363) is N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1ccnc(Br)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide?
The InChIKey is VBTXTNFXQQFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-19(15(21)11-7-8-17-13(16)9-11)10-14(20)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide?
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103752363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).