6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide

C15H15BrN2O — CID 66464248

IUPAC6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Br)nc1)c1ccccc1C
InChIInChI=1S/C15H15BrN2O/c1-3-18(13-7-5-4-6-11(13)2)15(19)12-8-9-14(16)17-10-12/h4-10H,3H2,1-2H3
InChIKeyAICWOKWSJXVMEL-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide

6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 66464248) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID66464248
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Br)nc1)c1ccccc1C
InChIInChI=1S/C15H15BrN2O/c1-3-18(13-7-5-4-6-11(13)2)15(19)12-8-9-14(16)17-10-12/h4-10H,3H2,1-2H3
InChIKeyAICWOKWSJXVMEL-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414865
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide
CID 30769698
2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
CID 66463836
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493
4-amino-N-ethyl-6-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 81234362

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide (CID 66464248) is 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide is CCN(C(=O)c1ccc(Br)nc1)c1ccccc1C.
What is the InChIKey of 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is AICWOKWSJXVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-18(13-7-5-4-6-11(13)2)15(19)12-8-9-14(16)17-10-12/h4-10H,3H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide?
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66464248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).