2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide

C18H18BrFN2O — CID 130298796

IUPAC2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(Br)nc(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C18H18BrFN2O/c1-18(2,13-5-6-13)22-17(23)12-9-15(21-16(19)10-12)11-3-7-14(20)8-4-11/h3-4,7-10,13H,5-6H2,1-2H3,(H,22,23)
InChIKeyZSDYAVBDWDLTPT-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.57
Rot. Bonds4

About 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide

2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide (PubChem CID 130298796) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide
PubChem CID130298796
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(Br)nc(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C18H18BrFN2O/c1-18(2,13-5-6-13)22-17(23)12-9-15(21-16(19)10-12)11-3-7-14(20)8-4-11/h3-4,7-10,13H,5-6H2,1-2H3,(H,22,23)
InChIKeyZSDYAVBDWDLTPT-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide (CID 130298796) is 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide is CC(C)(NC(=O)c1cc(Br)nc(-c2ccc(F)cc2)c1)C1CC1.
What is the InChIKey of 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is ZSDYAVBDWDLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c1-18(2,13-5-6-13)22-17(23)12-9-15(21-16(19)10-12)11-3-7-14(20)8-4-11/h3-4,7-10,13H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide?
2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 130298796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).