N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide

C15H14BrN3O2 — CID 103752364

IUPACN-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccnc1Br
InChIInChI=1S/C15H14BrN3O2/c1-19(15(21)12-8-5-9-17-14(12)16)10-13(20)18-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyGUFKHBYHQMNMGG-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.55
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide

N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide (PubChem CID 103752364) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
PubChem CID103752364
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccnc1Br
InChIInChI=1S/C15H14BrN3O2/c1-19(15(21)12-8-5-9-17-14(12)16)10-13(20)18-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyGUFKHBYHQMNMGG-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-3-carboxamide
CID 103753987
N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 46473407
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
N-(2-anilino-2-oxoethyl)-1-(4-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55639307
2-(4-bromophenyl)sulfanyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55330536
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 55966509

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide (CID 103752364) is N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cccnc1Br.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide?
The InChIKey is GUFKHBYHQMNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-19(15(21)12-8-5-9-17-14(12)16)10-13(20)18-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide?
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 103752364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).