2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide

C15H15BrFN3O — CID 107631780

IUPAC2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cc(F)ccc2Br)cc(N)n1
InChIInChI=1S/C15H15BrFN3O/c1-8(2)12-5-9(6-14(18)19-12)15(21)20-13-7-10(17)3-4-11(13)16/h3-8H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyIZJTVKWNUAQVNQ-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.94
Rot. Bonds3

About 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide

2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 107631780) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID107631780
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cc(F)ccc2Br)cc(N)n1
InChIInChI=1S/C15H15BrFN3O/c1-8(2)12-5-9(6-14(18)19-12)15(21)20-13-7-10(17)3-4-11(13)16/h3-8H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyIZJTVKWNUAQVNQ-UHFFFAOYSA-N
XLogP3.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide (CID 107631780) is 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2cc(F)ccc2Br)cc(N)n1.
What is the InChIKey of 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is IZJTVKWNUAQVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-8(2)12-5-9(6-14(18)19-12)15(21)20-13-7-10(17)3-4-11(13)16/h3-8H,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide?
2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-fluorophenyl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 107631780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).