2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide

C15H14BrN3O2 — CID 103754489

IUPAC2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C15H14BrN3O2/c1-17-13(20)9-10-5-2-3-7-12(10)19-15(21)11-6-4-8-18-14(11)16/h2-8H,9H2,1H3,(H,17,20)(H,19,21)
InChIKeyIDHQCIDBOUBNAS-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.38
Rot. Bonds4

About 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide

2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide (PubChem CID 103754489) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
PubChem CID103754489
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C15H14BrN3O2/c1-17-13(20)9-10-5-2-3-7-12(10)19-15(21)11-6-4-8-18-14(11)16/h2-8H,9H2,1H3,(H,17,20)(H,19,21)
InChIKeyIDHQCIDBOUBNAS-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615270
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide (CID 103754489) is 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide is CNC(=O)Cc1ccccc1NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is IDHQCIDBOUBNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-17-13(20)9-10-5-2-3-7-12(10)19-15(21)11-6-4-8-18-14(11)16/h2-8H,9H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 103754489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).