N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide

C14H14BrN3O — CID 63230213

IUPACN-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C14H14BrN3O/c1-2-18(13-5-3-12(16)4-6-13)14(19)10-7-11(15)9-17-8-10/h3-9H,2,16H2,1H3
InChIKeyOUMWTNKYCNGPHG-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.09
Rot. Bonds3

About N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide

N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide (PubChem CID 63230213) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
PubChem CID63230213
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C14H14BrN3O/c1-2-18(13-5-3-12(16)4-6-13)14(19)10-7-11(15)9-17-8-10/h3-9H,2,16H2,1H3
InChIKeyOUMWTNKYCNGPHG-UHFFFAOYSA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63234213
N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 51126618
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
CID 115368567
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide (CID 63230213) is N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1cncc(Br)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide?
The InChIKey is OUMWTNKYCNGPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-18(13-5-3-12(16)4-6-13)14(19)10-7-11(15)9-17-8-10/h3-9H,2,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide?
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 63230213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).