6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide

C15H15BrN2O — CID 103889658

IUPAC6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cccc(Br)n1)c1ccc(C)cc1
InChIInChI=1S/C15H15BrN2O/c1-3-18(12-9-7-11(2)8-10-12)15(19)13-5-4-6-14(16)17-13/h4-10H,3H2,1-2H3
InChIKeySZRKFVROCIKKNW-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide

6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 103889658) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID103889658
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cccc(Br)n1)c1ccc(C)cc1
InChIInChI=1S/C15H15BrN2O/c1-3-18(12-9-7-11(2)8-10-12)15(19)13-5-4-6-14(16)17-13/h4-10H,3H2,1-2H3
InChIKeySZRKFVROCIKKNW-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

6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 113346688
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
2-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66389737
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide (CID 103889658) is 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide is CCN(C(=O)c1cccc(Br)n1)c1ccc(C)cc1.
What is the InChIKey of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is SZRKFVROCIKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-18(12-9-7-11(2)8-10-12)15(19)13-5-4-6-14(16)17-13/h4-10H,3H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide?
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-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-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).