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

C15H14BrN3O2 — CID 66462324

IUPAC6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrN3O2/c1-17-14(20)8-10-4-2-3-5-12(10)19-15(21)11-6-7-13(16)18-9-11/h2-7,9H,8H2,1H3,(H,17,20)(H,19,21)
InChIKeyMBABNACOSOEVTG-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.38
Rot. Bonds4

About 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide

6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide (PubChem CID 66462324) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
PubChem CID66462324
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrN3O2/c1-17-14(20)8-10-4-2-3-5-12(10)19-15(21)11-6-7-13(16)18-9-11/h2-7,9H,8H2,1H3,(H,17,20)(H,19,21)
InChIKeyMBABNACOSOEVTG-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

6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408290
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 66463924
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide (CID 66462324) is 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide is CNC(=O)Cc1ccccc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MBABNACOSOEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-17-14(20)8-10-4-2-3-5-12(10)19-15(21)11-6-7-13(16)18-9-11/h2-7,9H,8H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide?
6-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 6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).