2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide

C14H13BrN2O — CID 113255068

IUPAC2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O/c1-2-10-3-5-12(6-4-10)17-14(18)11-7-8-16-13(15)9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeyHRTPLPQWKDMUIG-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide

2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide (PubChem CID 113255068) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
PubChem CID113255068
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O/c1-2-10-3-5-12(6-4-10)17-14(18)11-7-8-16-13(15)9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeyHRTPLPQWKDMUIG-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077915
2-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091133
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide (CID 113255068) is 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide?
The InChIKey is HRTPLPQWKDMUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-2-10-3-5-12(6-4-10)17-14(18)11-7-8-16-13(15)9-11/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide?
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 113255068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).