2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide

C24H27FN4O — CID 58521764

IUPAC2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C24H27FN4O/c1-16(2)14-28-24(30)19-11-21(10-17(3)18-4-6-20(25)7-5-18)29-22(12-19)13-23-15-26-8-9-27-23/h4-9,11-12,15-17H,10,13-14H2,1-3H3,(H,28,30)/t17-/m1/s1
InChIKeyWNUQCAWNXKSTLB-QGZVFWFLSA-N
MW406.51 g/mol
LogP4.33
Rot. Bonds8

About 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide

2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 58521764) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID58521764
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C24H27FN4O/c1-16(2)14-28-24(30)19-11-21(10-17(3)18-4-6-20(25)7-5-18)29-22(12-19)13-23-15-26-8-9-27-23/h4-9,11-12,15-17H,10,13-14H2,1-3H3,(H,28,30)/t17-/m1/s1
InChIKeyWNUQCAWNXKSTLB-QGZVFWFLSA-N
XLogP4.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide (CID 58521764) is 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide is CC(C)CNC(=O)c1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WNUQCAWNXKSTLB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16(2)14-28-24(30)19-11-21(10-17(3)18-4-6-20(25)7-5-18)29-22(12-19)13-23-15-26-8-9-27-23/h4-9,11-12,15-17H,10,13-14H2,1-3H3,(H,28,30)/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 58521764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).