N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide

C14H13BrFN3O — CID 90176737

IUPACN-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1F)c1cnc(Br)cc1N
InChIInChI=1S/C14H13BrFN3O/c1-19(12-8-18-13(15)7-11(12)17)14(20)6-9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H2,17,18)
InChIKeyKDZBEGDQCMTUMB-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.77
Rot. Bonds3

About N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide

N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide (PubChem CID 90176737) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide
PubChem CID90176737
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC NameN-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1F)c1cnc(Br)cc1N
InChIInChI=1S/C14H13BrFN3O/c1-19(12-8-18-13(15)7-11(12)17)14(20)6-9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H2,17,18)
InChIKeyKDZBEGDQCMTUMB-UHFFFAOYSA-N
XLogP2.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide (CID 90176737) is N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccccc1F)c1cnc(Br)cc1N.
What is the InChIKey of N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is KDZBEGDQCMTUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-19(12-8-18-13(15)7-11(12)17)14(20)6-9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H2,17,18).
What are the key properties of N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide?
N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 338.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-bromo-3-pyridinyl)-2-(2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 90176737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).