N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide

C14H14BrN3O2 — CID 107516864

IUPACN-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNc1ccccc1N(CCO)C(=O)c1ncccc1Br
InChIInChI=1S/C14H14BrN3O2/c15-10-4-3-7-17-13(10)14(20)18(8-9-19)12-6-2-1-5-11(12)16/h1-7,19H,8-9,16H2
InChIKeyFXCPSJQXKYXUKR-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.07
Rot. Bonds4

About N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide

N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 107516864) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID107516864
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNc1ccccc1N(CCO)C(=O)c1ncccc1Br
InChIInChI=1S/C14H14BrN3O2/c15-10-4-3-7-17-13(10)14(20)18(8-9-19)12-6-2-1-5-11(12)16/h1-7,19H,8-9,16H2
InChIKeyFXCPSJQXKYXUKR-UHFFFAOYSA-N
XLogP2.07
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 107518153
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-2,6-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547863
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
N-(2-aminophenyl)-3-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 43547802
N-(2-aminophenyl)-5-cyano-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63724012
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801123
N-(2-aminophenyl)-2,5-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547864
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 43547919
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43547822

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 107516864) is N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide is Nc1ccccc1N(CCO)C(=O)c1ncccc1Br.
What is the InChIKey of N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is FXCPSJQXKYXUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-10-4-3-7-17-13(10)14(20)18(8-9-19)12-6-2-1-5-11(12)16/h1-7,19H,8-9,16H2.
What are the key properties of N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107516864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).