N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide

C14H14BrN3O — CID 107516882

IUPACN-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ncccc2Br)cc1N
InChIInChI=1S/C14H14BrN3O/c1-2-9-5-6-10(8-12(9)16)18-14(19)13-11(15)4-3-7-17-13/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyQMFOTMANHYDQFF-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.24
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide

N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide (PubChem CID 107516882) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
PubChem CID107516882
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ncccc2Br)cc1N
InChIInChI=1S/C14H14BrN3O/c1-2-9-5-6-10(8-12(9)16)18-14(19)13-11(15)4-3-7-17-13/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyQMFOTMANHYDQFF-UHFFFAOYSA-N
XLogP3.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide (CID 107516882) is N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide is CCc1ccc(NC(=O)c2ncccc2Br)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide?
The InChIKey is QMFOTMANHYDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-9-5-6-10(8-12(9)16)18-14(19)13-11(15)4-3-7-17-13/h3-8H,2,16H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide?
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107516882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).